3-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]benzoic acid

C20H15N3O4S — CID 156601390

IUPAC3-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]benzoic acid
SMILESO=C(O)c1cccc(NS(=O)(=O)c2ccc3nc(-c4ccccc4)[nH]c3c2)c1
InChIInChI=1S/C20H15N3O4S/c24-20(25)14-7-4-8-15(11-14)23-28(26,27)16-9-10-17-18(12-16)22-19(21-17)13-5-2-1-3-6-13/h1-12,23H,(H,21,22)(H,24,25)
InChIKeyVZZMPTKVIHPTAM-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.73
Rot. Bonds5

About 3-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]benzoic acid

3-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]benzoic acid (PubChem CID 156601390) has the molecular formula C20H15N3O4S and a molecular weight of 393.42 g/mol. Its IUPAC name is 3-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name3-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]benzoic acid
PubChem CID156601390
Molecular FormulaC20H15N3O4S
Molecular Weight393.42 g/mol
Exact Mass393.08
IUPAC Name3-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]benzoic acid
SMILESO=C(O)c1cccc(NS(=O)(=O)c2ccc3nc(-c4ccccc4)[nH]c3c2)c1
InChIInChI=1S/C20H15N3O4S/c24-20(25)14-7-4-8-15(11-14)23-28(26,27)16-9-10-17-18(12-16)22-19(21-17)13-5-2-1-3-6-13/h1-12,23H,(H,21,22)(H,24,25)
InChIKeyVZZMPTKVIHPTAM-UHFFFAOYSA-N
XLogP3.73
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]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

2-(1H-1,3-benzodiazol-2-yl)benzoic acid
CID 318130
2-Biphenyl-4-yl-1H-benzoimidazole-4-carboxylic acid
CID 46945388
2-Phenylbenzimidazole-4-carboxylic acid
CID 2771802
2-phenyl-1H-1,3-benzodiazole-6-carboxylic acid
CID 617230
4-(1H-Benzoimidazol-2-YL)-benzoic acid hydrochloride
CID 12004586
2-[4-[(2-Butyl-5-sulfamoylbenzimidazol-1-yl)methyl]phenyl]benzoic acid
CID 44570214
2-[4-[[2-Butyl-5-(methylsulfamoyl)benzimidazol-1-yl]methyl]phenyl]benzoic acid
CID 44570215
2-[4-[[2-Butyl-5-(ethylsulfamoyl)benzimidazol-1-yl]methyl]phenyl]benzoic acid
CID 44570216
2-[4-[[2-Butyl-5-(propylsulfamoyl)benzimidazol-1-yl]methyl]phenyl]benzoic acid
CID 44570217
2-[4-[[2-Butyl-5-(propan-2-ylsulfamoyl)benzimidazol-1-yl]methyl]phenyl]benzoic acid
CID 44570264
2-[4-[[2-Butyl-5-(butylsulfamoyl)benzimidazol-1-yl]methyl]phenyl]benzoic acid
CID 44570265
2-[4-[[2-Butyl-5-(tert-butylsulfamoyl)benzimidazol-1-yl]methyl]phenyl]benzoic acid
CID 44570266

Frequently Asked Questions

What is the IUPAC name of 3-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]benzoic acid?
The IUPAC name of 3-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]benzoic acid (CID 156601390) is 3-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]benzoic acid.
What is the SMILES notation for 3-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]benzoic acid?
The canonical SMILES for 3-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]benzoic acid is O=C(O)c1cccc(NS(=O)(=O)c2ccc3nc(-c4ccccc4)[nH]c3c2)c1.
What is the InChIKey of 3-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]benzoic acid?
The InChIKey is VZZMPTKVIHPTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O4S/c24-20(25)14-7-4-8-15(11-14)23-28(26,27)16-9-10-17-18(12-16)22-19(21-17)13-5-2-1-3-6-13/h1-12,23H,(H,21,22)(H,24,25).
What are the key properties of 3-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]benzoic acid?
3-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]benzoic acid has a molecular weight of 393.42 g/mol, XLogP of 3.73, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]benzoic acid is sourced from PubChem (CID 156601390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).