2-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3H-benzimidazole-5-carboxamide

C20H15ClN4O3S — CID 10180876

IUPAC2-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3)[nH]c2c1
InChIInChI=1S/C20H15ClN4O3S/c21-14-4-6-15(7-5-14)25-29(27,28)16-8-1-12(2-9-16)20-23-17-10-3-13(19(22)26)11-18(17)24-20/h1-11,25H,(H2,22,26)(H,23,24)
InChIKeyKHJVRUYUSFNQOV-UHFFFAOYSA-N
MW426.89 g/mol
LogP3.78
Rot. Bonds5

About 2-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3H-benzimidazole-5-carboxamide

2-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 10180876) has the molecular formula C20H15ClN4O3S and a molecular weight of 426.89 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID10180876
Molecular FormulaC20H15ClN4O3S
Molecular Weight426.89 g/mol
Exact Mass426.06
IUPAC Name2-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3)[nH]c2c1
InChIInChI=1S/C20H15ClN4O3S/c21-14-4-6-15(7-5-14)25-29(27,28)16-8-1-12(2-9-16)20-23-17-10-3-13(19(22)26)11-18(17)24-20/h1-11,25H,(H2,22,26)(H,23,24)
InChIKeyKHJVRUYUSFNQOV-UHFFFAOYSA-N
XLogP3.78
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.89
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(benzenesulfonyl)piperidin-4-yl]-1H-1,3-benzodiazole-4-carboxamide
CID 25190740
N-(1H-benzimidazol-2-yl)-4-(dimethylsulfamoyl)benzamide
CID 2311715
2-[4-(3,4-Dichloro-phenylsulfamoyl)-phenyl]-1H-benzoimidazole-5-carboxylic acid amide
CID 10115542
2-(4-Phenylcarbamoyl-phenyl)-1H-benzoimidazole-5-carboxylic acid amide
CID 10132912
2-[4-(4-Chloro-benzenesulfinyl)-phenyl]-1H-benzoimidazole-5-carboxylic acid amide
CID 10135342
2-[4-(4-Chloro-phenylsulfanyl)-phenyl]-1H-benzoimidazole-5-carboxylic acid amide
CID 10177780
2-[4-(4-Chloro-benzenesulfonyl)-phenyl]-1H-benzoimidazole-5-carboxylic acid amide
CID 10179864
2-(4''''-Chloro-biphenyl-4-yl)-1H-benzoimidazole-5-carboxylic acid amide
CID 10269200
2-[4-(4-Chloro-phenylcarbamoyl)-phenyl]-1H-benzoimidazole-5-carboxylic acid amide
CID 11443510
N-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carboxamide
CID 25066983
2-[(1R)-1-[(4-chlorophenyl)sulfonylamino]ethyl]-1-ethylbenzimidazole-5-carboxamide
CID 59177097
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 68276611

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3H-benzimidazole-5-carboxamide (CID 10180876) is 2-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3H-benzimidazole-5-carboxamide is NC(=O)c1ccc2nc(-c3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3)[nH]c2c1.
What is the InChIKey of 2-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is KHJVRUYUSFNQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O3S/c21-14-4-6-15(7-5-14)25-29(27,28)16-8-1-12(2-9-16)20-23-17-10-3-13(19(22)26)11-18(17)24-20/h1-11,25H,(H2,22,26)(H,23,24).
What are the key properties of 2-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3H-benzimidazole-5-carboxamide?
2-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 426.89 g/mol, XLogP of 3.78, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 10180876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).