3-[(3-sulfamoylbenzoyl)amino]benzoic acid

C14H12N2O5S — CID 834338

IUPAC3-[(3-sulfamoylbenzoyl)amino]benzoic acid
SMILESNS(=O)(=O)c1cccc(C(=O)Nc2cccc(C(=O)O)c2)c1
InChIInChI=1S/C14H12N2O5S/c15-22(20,21)12-6-2-3-9(8-12)13(17)16-11-5-1-4-10(7-11)14(18)19/h1-8H,(H,16,17)(H,18,19)(H2,15,20,21)
InChIKeySUYRNUQGKQJMLZ-UHFFFAOYSA-N
MW320.33 g/mol
LogP1.28
Rot. Bonds4

About 3-[(3-sulfamoylbenzoyl)amino]benzoic acid

3-[(3-sulfamoylbenzoyl)amino]benzoic acid (PubChem CID 834338) has the molecular formula C14H12N2O5S and a molecular weight of 320.33 g/mol. Its IUPAC name is 3-[(3-sulfamoylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name3-[(3-sulfamoylbenzoyl)amino]benzoic acid
PubChem CID834338
Molecular FormulaC14H12N2O5S
Molecular Weight320.33 g/mol
Exact Mass320.05
IUPAC Name3-[(3-sulfamoylbenzoyl)amino]benzoic acid
SMILESNS(=O)(=O)c1cccc(C(=O)Nc2cccc(C(=O)O)c2)c1
InChIInChI=1S/C14H12N2O5S/c15-22(20,21)12-6-2-3-9(8-12)13(17)16-11-5-1-4-10(7-11)14(18)19/h1-8H,(H,16,17)(H,18,19)(H2,15,20,21)
InChIKeySUYRNUQGKQJMLZ-UHFFFAOYSA-N
XLogP1.28
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[(3-sulfamoylbenzoyl)amino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-chloro-5-sulfamoylbenzoyl)amino]benzoic acid
CID 1144108
3-chloro-N-(3-sulfamoylphenyl)benzamide
CID 26580558
N-pyridin-3-yl-3-sulfamoylbenzamide
CID 164627954
3-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 3242230
3-(difluoromethyl)-N-(3-sulfamoylphenyl)benzamide
CID 175329442
molecular hydrogen;3-phenoxy-N-(3-sulfamoylphenyl)benzamide
CID 158388567
3-chloro-4-methyl-N-(3-sulfamoylphenyl)benzamide
CID 63195346
4-hydrazinyl-N-(3-sulfamoylphenyl)benzamide
CID 62237100
3-[[3-(cyclohexylsulfamoyl)benzoyl]amino]benzoic acid
CID 1121769
3-[[3-(dibutylsulfamoyl)benzoyl]amino]benzoic acid
CID 4240708
3-methylsulfonyl-N-(4-sulfamoylphenyl)benzamide
CID 7565696
4-acetamido-N-(3-sulfamoylphenyl)benzamide
CID 4067351

Frequently Asked Questions

What is the IUPAC name of 3-[(3-sulfamoylbenzoyl)amino]benzoic acid?
The IUPAC name of 3-[(3-sulfamoylbenzoyl)amino]benzoic acid (CID 834338) is 3-[(3-sulfamoylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 3-[(3-sulfamoylbenzoyl)amino]benzoic acid?
The canonical SMILES for 3-[(3-sulfamoylbenzoyl)amino]benzoic acid is NS(=O)(=O)c1cccc(C(=O)Nc2cccc(C(=O)O)c2)c1.
What is the InChIKey of 3-[(3-sulfamoylbenzoyl)amino]benzoic acid?
The InChIKey is SUYRNUQGKQJMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O5S/c15-22(20,21)12-6-2-3-9(8-12)13(17)16-11-5-1-4-10(7-11)14(18)19/h1-8H,(H,16,17)(H,18,19)(H2,15,20,21).
What are the key properties of 3-[(3-sulfamoylbenzoyl)amino]benzoic acid?
3-[(3-sulfamoylbenzoyl)amino]benzoic acid has a molecular weight of 320.33 g/mol, XLogP of 1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-sulfamoylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 834338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).