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

C20H15N3O4S — CID 156601392

IUPAC2-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]benzoic acid
SMILESO=C(O)c1ccccc1NS(=O)(=O)c1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C20H15N3O4S/c24-20(25)15-8-4-5-9-16(15)23-28(26,27)14-10-11-17-18(12-14)22-19(21-17)13-6-2-1-3-7-13/h1-12,23H,(H,21,22)(H,24,25)
InChIKeyABPHXMNTAUMBKB-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.73
Rot. Bonds5

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

2-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]benzoic acid (PubChem CID 156601392) has the molecular formula C20H15N3O4S and a molecular weight of 393.42 g/mol. Its IUPAC name is 2-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name2-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]benzoic acid
PubChem CID156601392
Molecular FormulaC20H15N3O4S
Molecular Weight393.42 g/mol
Exact Mass393.08
IUPAC Name2-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]benzoic acid
SMILESO=C(O)c1ccccc1NS(=O)(=O)c1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C20H15N3O4S/c24-20(25)15-8-4-5-9-16(15)23-28(26,27)14-10-11-17-18(12-14)22-19(21-17)13-6-2-1-3-7-13/h1-12,23H,(H,21,22)(H,24,25)
InChIKeyABPHXMNTAUMBKB-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

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Related Compounds

2-Biphenyl-4-yl-1H-benzoimidazole-4-carboxylic acid
CID 46945388
2-Phenylbenzimidazole-4-carboxylic acid
CID 2771802
2-methyl-1H-1,3-benzodiazole-4-carboxylic acid
CID 10607360
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
2-[4-[[2-Butyl-5-(cyclohexylsulfamoyl)benzimidazol-1-yl]methyl]phenyl]benzoic acid
CID 44570305
2-[4-[(2-Butyl-5-sulfobenzimidazol-1-yl)methyl]phenyl]benzoic acid
CID 44570306

Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]benzoic acid?
The IUPAC name of 2-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]benzoic acid (CID 156601392) is 2-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]benzoic acid.
What is the SMILES notation for 2-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]benzoic acid?
The canonical SMILES for 2-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]benzoic acid is O=C(O)c1ccccc1NS(=O)(=O)c1ccc2nc(-c3ccccc3)[nH]c2c1.
What is the InChIKey of 2-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]benzoic acid?
The InChIKey is ABPHXMNTAUMBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O4S/c24-20(25)15-8-4-5-9-16(15)23-28(26,27)14-10-11-17-18(12-14)22-19(21-17)13-6-2-1-3-7-13/h1-12,23H,(H,21,22)(H,24,25).
What are the key properties of 2-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]benzoic acid?
2-[(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 2-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]benzoic acid is sourced from PubChem (CID 156601392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).