4-[[3-[(5-chloro-2-methoxyphenyl)sulfonylamino]benzoyl]amino]benzoic acid

C21H17ClN2O6S — CID 11977548

IUPAC4-[[3-[(5-chloro-2-methoxyphenyl)sulfonylamino]benzoyl]amino]benzoic acid
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(C(=O)Nc2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C21H17ClN2O6S/c1-30-18-10-7-15(22)12-19(18)31(28,29)24-17-4-2-3-14(11-17)20(25)23-16-8-5-13(6-9-16)21(26)27/h2-12,24H,1H3,(H,23,25)(H,26,27)
InChIKeySMFZBOXTWIRUAJ-UHFFFAOYSA-N
MW460.90 g/mol
LogP4.10
Rot. Bonds7

About 4-[[3-[(5-chloro-2-methoxyphenyl)sulfonylamino]benzoyl]amino]benzoic acid

4-[[3-[(5-chloro-2-methoxyphenyl)sulfonylamino]benzoyl]amino]benzoic acid (PubChem CID 11977548) has the molecular formula C21H17ClN2O6S and a molecular weight of 460.90 g/mol. Its IUPAC name is 4-[[3-[(5-chloro-2-methoxyphenyl)sulfonylamino]benzoyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[3-[(5-chloro-2-methoxyphenyl)sulfonylamino]benzoyl]amino]benzoic acid
PubChem CID11977548
Molecular FormulaC21H17ClN2O6S
Molecular Weight460.90 g/mol
Exact Mass460.05
IUPAC Name4-[[3-[(5-chloro-2-methoxyphenyl)sulfonylamino]benzoyl]amino]benzoic acid
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(C(=O)Nc2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C21H17ClN2O6S/c1-30-18-10-7-15(22)12-19(18)31(28,29)24-17-4-2-3-14(11-17)20(25)23-16-8-5-13(6-9-16)21(26)27/h2-12,24H,1H3,(H,23,25)(H,26,27)
InChIKeySMFZBOXTWIRUAJ-UHFFFAOYSA-N
XLogP4.10
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.90
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[3-[(5-chloro-2-methoxyphenyl)sulfonylamino]benzoyl]amino]benzoic acid with MolForge

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Related Compounds

3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[4-(2-oxo-5H-1,2,3,5-oxathiadiazol-4-yl)phenyl]benzamide
CID 46241251
N-(4-carbamoylphenyl)-3-[(2,5-dichlorophenyl)sulfonylamino]benzamide
CID 24640884
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(trifluoromethyl)benzamide
CID 34081551
3-[(5-chloro-2-ethoxyphenyl)sulfonylamino]benzoic acid
CID 15943963
4-[[3-[(3-methoxyphenyl)sulfonylamino]benzoyl]amino]benzoic acid
CID 158643553
3-(tert-butylsulfamoyl)-N-(3-chlorophenyl)-4-methoxybenzamide
CID 26578598
N-(5-chloro-2-methoxyphenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 30684608
N-[6-[(5-chloro-2-methoxyphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]benzamide
CID 46325517
N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 26582501
5-chloro-N-(3,4-dimethoxyphenyl)-2-methoxybenzenesulfonamide
CID 3706982
4-methoxy-3-[(3-methylphenyl)sulfamoyl]benzoic acid
CID 1332709
4-bromo-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]benzamide
CID 34081382

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(5-chloro-2-methoxyphenyl)sulfonylamino]benzoyl]amino]benzoic acid?
The IUPAC name of 4-[[3-[(5-chloro-2-methoxyphenyl)sulfonylamino]benzoyl]amino]benzoic acid (CID 11977548) is 4-[[3-[(5-chloro-2-methoxyphenyl)sulfonylamino]benzoyl]amino]benzoic acid.
What is the SMILES notation for 4-[[3-[(5-chloro-2-methoxyphenyl)sulfonylamino]benzoyl]amino]benzoic acid?
The canonical SMILES for 4-[[3-[(5-chloro-2-methoxyphenyl)sulfonylamino]benzoyl]amino]benzoic acid is COc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(C(=O)Nc2ccc(C(=O)O)cc2)c1.
What is the InChIKey of 4-[[3-[(5-chloro-2-methoxyphenyl)sulfonylamino]benzoyl]amino]benzoic acid?
The InChIKey is SMFZBOXTWIRUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O6S/c1-30-18-10-7-15(22)12-19(18)31(28,29)24-17-4-2-3-14(11-17)20(25)23-16-8-5-13(6-9-16)21(26)27/h2-12,24H,1H3,(H,23,25)(H,26,27).
What are the key properties of 4-[[3-[(5-chloro-2-methoxyphenyl)sulfonylamino]benzoyl]amino]benzoic acid?
4-[[3-[(5-chloro-2-methoxyphenyl)sulfonylamino]benzoyl]amino]benzoic acid has a molecular weight of 460.90 g/mol, XLogP of 4.10, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(5-chloro-2-methoxyphenyl)sulfonylamino]benzoyl]amino]benzoic acid is sourced from PubChem (CID 11977548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).