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

C20H16N4O3S — CID 11443537

IUPAC2-[4-(phenylsulfamoyl)phenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(S(=O)(=O)Nc4ccccc4)cc3)[nH]c2c1
InChIInChI=1S/C20H16N4O3S/c21-19(25)14-8-11-17-18(12-14)23-20(22-17)13-6-9-16(10-7-13)28(26,27)24-15-4-2-1-3-5-15/h1-12,24H,(H2,21,25)(H,22,23)
InChIKeyFGCLPCSCKFKUNN-UHFFFAOYSA-N
MW392.44 g/mol
LogP3.13
Rot. Bonds5

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

2-[4-(phenylsulfamoyl)phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 11443537) has the molecular formula C20H16N4O3S and a molecular weight of 392.44 g/mol. Its IUPAC name is 2-[4-(phenylsulfamoyl)phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-(phenylsulfamoyl)phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID11443537
Molecular FormulaC20H16N4O3S
Molecular Weight392.44 g/mol
Exact Mass392.09
IUPAC Name2-[4-(phenylsulfamoyl)phenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(S(=O)(=O)Nc4ccccc4)cc3)[nH]c2c1
InChIInChI=1S/C20H16N4O3S/c21-19(25)14-8-11-17-18(12-14)23-20(22-17)13-6-9-16(10-7-13)28(26,27)24-15-4-2-1-3-5-15/h1-12,24H,(H2,21,25)(H,22,23)
InChIKeyFGCLPCSCKFKUNN-UHFFFAOYSA-N
XLogP3.13
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(phenylsulfamoyl)phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-(phenylsulfamoyl)phenyl]-3H-benzimidazole-5-carboxamide (CID 11443537) is 2-[4-(phenylsulfamoyl)phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-(phenylsulfamoyl)phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-(phenylsulfamoyl)phenyl]-3H-benzimidazole-5-carboxamide is NC(=O)c1ccc2nc(-c3ccc(S(=O)(=O)Nc4ccccc4)cc3)[nH]c2c1.
What is the InChIKey of 2-[4-(phenylsulfamoyl)phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is FGCLPCSCKFKUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3S/c21-19(25)14-8-11-17-18(12-14)23-20(22-17)13-6-9-16(10-7-13)28(26,27)24-15-4-2-1-3-5-15/h1-12,24H,(H2,21,25)(H,22,23).
What are the key properties of 2-[4-(phenylsulfamoyl)phenyl]-3H-benzimidazole-5-carboxamide?
2-[4-(phenylsulfamoyl)phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 392.44 g/mol, XLogP of 3.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(phenylsulfamoyl)phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 11443537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).