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

C20H14Cl2N4O3S — CID 10115542

IUPAC2-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(S(=O)(=O)Nc4ccc(Cl)c(Cl)c4)cc3)[nH]c2c1
InChIInChI=1S/C20H14Cl2N4O3S/c21-15-7-4-13(10-16(15)22)26-30(28,29)14-5-1-11(2-6-14)20-24-17-8-3-12(19(23)27)9-18(17)25-20/h1-10,26H,(H2,23,27)(H,24,25)
InChIKeyDZICGNYWCKQHLC-UHFFFAOYSA-N
MW461.33 g/mol
LogP4.44
Rot. Bonds5

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

2-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 10115542) has the molecular formula C20H14Cl2N4O3S and a molecular weight of 461.33 g/mol. Its IUPAC name is 2-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID10115542
Molecular FormulaC20H14Cl2N4O3S
Molecular Weight461.33 g/mol
Exact Mass460.02
IUPAC Name2-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(S(=O)(=O)Nc4ccc(Cl)c(Cl)c4)cc3)[nH]c2c1
InChIInChI=1S/C20H14Cl2N4O3S/c21-15-7-4-13(10-16(15)22)26-30(28,29)14-5-1-11(2-6-14)20-24-17-8-3-12(19(23)27)9-18(17)25-20/h1-10,26H,(H2,23,27)(H,24,25)
InChIKeyDZICGNYWCKQHLC-UHFFFAOYSA-N
XLogP4.44
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.33
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 22430107
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzenesulfonamide
CID 100580925
4-methyl-N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzenesulfonamide
CID 4192275
2-methoxy-5-[[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]sulfamoyl]benzamide
CID 146021640
3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 10166808
2-[4-[(4-chlorophenyl)-hydroxymethyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 11394800
1-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-phenylurea
CID 4171462
2-(4-aminophenyl)-3H-benzimidazol-5-amine;benzene-1,4-dicarboxamide
CID 174846726
4-(1H-benzimidazol-2-yl)benzamide
CID 56736972
N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)benzenesulfonamide
CID 53370749
2-(3,4-dichlorophenyl)-6-methylsulfonyl-1H-benzimidazole
CID 62067790
N-(3,4-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 711099

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3H-benzimidazole-5-carboxamide (CID 10115542) is 2-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3H-benzimidazole-5-carboxamide is NC(=O)c1ccc2nc(-c3ccc(S(=O)(=O)Nc4ccc(Cl)c(Cl)c4)cc3)[nH]c2c1.
What is the InChIKey of 2-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is DZICGNYWCKQHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N4O3S/c21-15-7-4-13(10-16(15)22)26-30(28,29)14-5-1-11(2-6-14)20-24-17-8-3-12(19(23)27)9-18(17)25-20/h1-10,26H,(H2,23,27)(H,24,25).
What are the key properties of 2-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3H-benzimidazole-5-carboxamide?
2-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 461.33 g/mol, XLogP of 4.44, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 10115542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).