2-[(4-acetamidophenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide

C17H16N4O4S — CID 10474415

IUPAC2-[(4-acetamidophenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Cc2nc3c(C(N)=O)cccc3[nH]2)cc1
InChIInChI=1S/C17H16N4O4S/c1-10(22)19-11-5-7-12(8-6-11)26(24,25)9-15-20-14-4-2-3-13(17(18)23)16(14)21-15/h2-8H,9H2,1H3,(H2,18,23)(H,19,22)(H,20,21)
InChIKeyRBIQXAJCTOKKIB-UHFFFAOYSA-N
MW372.41 g/mol
LogP1.59
Rot. Bonds5

About 2-[(4-acetamidophenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide

2-[(4-acetamidophenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide (PubChem CID 10474415) has the molecular formula C17H16N4O4S and a molecular weight of 372.41 g/mol. Its IUPAC name is 2-[(4-acetamidophenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-acetamidophenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide
PubChem CID10474415
Molecular FormulaC17H16N4O4S
Molecular Weight372.41 g/mol
Exact Mass372.09
IUPAC Name2-[(4-acetamidophenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Cc2nc3c(C(N)=O)cccc3[nH]2)cc1
InChIInChI=1S/C17H16N4O4S/c1-10(22)19-11-5-7-12(8-6-11)26(24,25)9-15-20-14-4-2-3-13(17(18)23)16(14)21-15/h2-8H,9H2,1H3,(H2,18,23)(H,19,22)(H,20,21)
InChIKeyRBIQXAJCTOKKIB-UHFFFAOYSA-N
XLogP1.59
TPSA135.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamidophenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[(4-acetamidophenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide (CID 10474415) is 2-[(4-acetamidophenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[(4-acetamidophenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[(4-acetamidophenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide is CC(=O)Nc1ccc(S(=O)(=O)Cc2nc3c(C(N)=O)cccc3[nH]2)cc1.
What is the InChIKey of 2-[(4-acetamidophenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is RBIQXAJCTOKKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4S/c1-10(22)19-11-5-7-12(8-6-11)26(24,25)9-15-20-14-4-2-3-13(17(18)23)16(14)21-15/h2-8H,9H2,1H3,(H2,18,23)(H,19,22)(H,20,21).
What are the key properties of 2-[(4-acetamidophenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide?
2-[(4-acetamidophenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 372.41 g/mol, XLogP of 1.59, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetamidophenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 10474415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).