N-(1H-benzimidazol-2-yl)-4-chlorobenzenesulfonamide

C13H10ClN3O2S — CID 645632

IUPACN-(1H-benzimidazol-2-yl)-4-chlorobenzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2[nH]1)c1ccc(Cl)cc1
InChIInChI=1S/C13H10ClN3O2S/c14-9-5-7-10(8-6-9)20(18,19)17-13-15-11-3-1-2-4-12(11)16-13/h1-8H,(H2,15,16,17)
InChIKeyHPLUYJOCUCXWLK-UHFFFAOYSA-N
MW307.76 g/mol
LogP3.02
Rot. Bonds3

About N-(1H-benzimidazol-2-yl)-4-chlorobenzenesulfonamide

N-(1H-benzimidazol-2-yl)-4-chlorobenzenesulfonamide (PubChem CID 645632) has the molecular formula C13H10ClN3O2S and a molecular weight of 307.76 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-4-chlorobenzenesulfonamide
PubChem CID645632
Molecular FormulaC13H10ClN3O2S
Molecular Weight307.76 g/mol
Exact Mass307.02
IUPAC NameN-(1H-benzimidazol-2-yl)-4-chlorobenzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2[nH]1)c1ccc(Cl)cc1
InChIInChI=1S/C13H10ClN3O2S/c14-9-5-7-10(8-6-9)20(18,19)17-13-15-11-3-1-2-4-12(11)16-13/h1-8H,(H2,15,16,17)
InChIKeyHPLUYJOCUCXWLK-UHFFFAOYSA-N
XLogP3.02
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-4-chlorobenzenesulfonamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-4-chlorobenzenesulfonamide (CID 645632) is N-(1H-benzimidazol-2-yl)-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-4-chlorobenzenesulfonamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-4-chlorobenzenesulfonamide is O=S(=O)(Nc1nc2ccccc2[nH]1)c1ccc(Cl)cc1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-4-chlorobenzenesulfonamide?
The InChIKey is HPLUYJOCUCXWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O2S/c14-9-5-7-10(8-6-9)20(18,19)17-13-15-11-3-1-2-4-12(11)16-13/h1-8H,(H2,15,16,17).
What are the key properties of N-(1H-benzimidazol-2-yl)-4-chlorobenzenesulfonamide?
N-(1H-benzimidazol-2-yl)-4-chlorobenzenesulfonamide has a molecular weight of 307.76 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-4-chlorobenzenesulfonamide is sourced from PubChem (CID 645632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).