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name of (s)-2-{methyl-[2-(naphthalene-2-sulfonylamino)-5-(naphthalene-2-sulfonyloxy)-benzoyl]-amino}-succinicacid

Input interpretation

(s)-2-{methyl-[2-(naphthalene-2-sulfonylamino)-5-(naphthalene-2-sulfonyloxy)-benzoyl]-amino}-succinicacid
(s)-2-{methyl-[2-(naphthalene-2-sulfonylamino)-5-(naphthalene-2-sulfonyloxy)-benzoyl]-amino}-succinicacid

Chemical names and formulas

formula | C_32H_26N_2O_10S_2 name | (s)-2-{methyl-[2-(naphthalene-2-sulfonylamino)-5-(naphthalene-2-sulfonyloxy)-benzoyl]-amino}-succinicacid IUPAC name | (2S)-2-[methyl-[2-(naphthalen-2-ylsulfonylamino)-5-naphthalen-2-ylsulfonyloxybenzoyl]amino]butanedioic acid mass fractions | C (carbon) 58% | H (hydrogen) 3.95% | N (nitrogen) 4.23% | O (oxygen) 24.1% | S (sulfur) 9.68%
formula | C_32H_26N_2O_10S_2 name | (s)-2-{methyl-[2-(naphthalene-2-sulfonylamino)-5-(naphthalene-2-sulfonyloxy)-benzoyl]-amino}-succinicacid IUPAC name | (2S)-2-[methyl-[2-(naphthalen-2-ylsulfonylamino)-5-naphthalen-2-ylsulfonyloxybenzoyl]amino]butanedioic acid mass fractions | C (carbon) 58% | H (hydrogen) 3.95% | N (nitrogen) 4.23% | O (oxygen) 24.1% | S (sulfur) 9.68%

Lewis structure

Draw the Lewis structure of (s)-2-{methyl-[2-(naphthalene-2-sulfonylamino)-5-(naphthalene-2-sulfonyloxy)-benzoyl]-amino}-succinicacid. Start by drawing the overall structure of the molecule, ignoring potential double and triple bonds:  Count the total valence electrons of the carbon (n_C, val = 4), hydrogen (n_H, val = 1), nitrogen (n_N, val = 5), oxygen (n_O, val = 6), and sulfur (n_S, val = 6) atoms: 32 n_C, val + 26 n_H, val + 2 n_N, val + 10 n_O, val + 2 n_S, val = 236 Calculate the number of electrons needed to completely fill the valence shells for carbon (n_C, full = 8), hydrogen (n_H, full = 2), nitrogen (n_N, full = 8), oxygen (n_O, full = 8), and sulfur (n_S, full = 8): 32 n_C, full + 26 n_H, full + 2 n_N, full + 10 n_O, full + 2 n_S, full = 420 Subtracting these two numbers shows that 420 - 236 = 184 bonding electrons are needed. Each bond has two electrons, so in addition to the 76 bonds already present in the diagram we expect to add 16 bonds. To minimize formal charge oxygen wants 2 bonds and carbon wants 4 bonds. Identify the atoms that want additional bonds and the number of electrons remaining on each atom:  Add 16 bonds by pairing electrons between adjacent highlighted atoms. Additionally, atoms with large electronegativities can minimize their formal charge by forcing atoms with smaller electronegativities on period 3 or higher to expand their valence shells. The electronegativities of the atoms are 2.20 (hydrogen), 2.55 (carbon), 2.58 (sulfur), 3.04 (nitrogen), and 3.44 (oxygen). Because the electronegativity of sulfur is smaller than the electronegativity of oxygen and the electronegativity of {} is smaller than the electronegativity of {}, expand the valence shell of sulfur to 6 bonds in 2 places and expand the valence shell of {} to {} bonds. Therefore we add a total of 20 bonds to the diagram. Note that the six atom rings are aromatic, so that the single and double bonds may be rearranged: Answer: |   |
Draw the Lewis structure of (s)-2-{methyl-[2-(naphthalene-2-sulfonylamino)-5-(naphthalene-2-sulfonyloxy)-benzoyl]-amino}-succinicacid. Start by drawing the overall structure of the molecule, ignoring potential double and triple bonds: Count the total valence electrons of the carbon (n_C, val = 4), hydrogen (n_H, val = 1), nitrogen (n_N, val = 5), oxygen (n_O, val = 6), and sulfur (n_S, val = 6) atoms: 32 n_C, val + 26 n_H, val + 2 n_N, val + 10 n_O, val + 2 n_S, val = 236 Calculate the number of electrons needed to completely fill the valence shells for carbon (n_C, full = 8), hydrogen (n_H, full = 2), nitrogen (n_N, full = 8), oxygen (n_O, full = 8), and sulfur (n_S, full = 8): 32 n_C, full + 26 n_H, full + 2 n_N, full + 10 n_O, full + 2 n_S, full = 420 Subtracting these two numbers shows that 420 - 236 = 184 bonding electrons are needed. Each bond has two electrons, so in addition to the 76 bonds already present in the diagram we expect to add 16 bonds. To minimize formal charge oxygen wants 2 bonds and carbon wants 4 bonds. Identify the atoms that want additional bonds and the number of electrons remaining on each atom: Add 16 bonds by pairing electrons between adjacent highlighted atoms. Additionally, atoms with large electronegativities can minimize their formal charge by forcing atoms with smaller electronegativities on period 3 or higher to expand their valence shells. The electronegativities of the atoms are 2.20 (hydrogen), 2.55 (carbon), 2.58 (sulfur), 3.04 (nitrogen), and 3.44 (oxygen). Because the electronegativity of sulfur is smaller than the electronegativity of oxygen and the electronegativity of {} is smaller than the electronegativity of {}, expand the valence shell of sulfur to 6 bonds in 2 places and expand the valence shell of {} to {} bonds. Therefore we add a total of 20 bonds to the diagram. Note that the six atom rings are aromatic, so that the single and double bonds may be rearranged: Answer: | |

3D structure

3D structure
3D structure

Basic properties

molar mass | 662.7 g/mol phase | solid (at STP)
molar mass | 662.7 g/mol phase | solid (at STP)

Units

Hydrophobicity and permeability properties

predicted LogP hydrophobicity | 3.6 predicted LogS | -6.17
predicted LogP hydrophobicity | 3.6 predicted LogS | -6.17

Basic drug properties

approval status | experimental | small molecule
approval status | experimental | small molecule