N-(3-chloro-2-methylphenyl)-3H-benzimidazole-5-sulfonamide

C14H12ClN3O2S — CID 110760025

IUPACN-(3-chloro-2-methylphenyl)-3H-benzimidazole-5-sulfonamide
SMILESCc1c(Cl)cccc1NS(=O)(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C14H12ClN3O2S/c1-9-11(15)3-2-4-12(9)18-21(19,20)10-5-6-13-14(7-10)17-8-16-13/h2-8,18H,1H3,(H,16,17)
InChIKeyCCSDLYKUGPJANW-UHFFFAOYSA-N
MW321.79 g/mol
LogP3.33
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-3H-benzimidazole-5-sulfonamide

N-(3-chloro-2-methylphenyl)-3H-benzimidazole-5-sulfonamide (PubChem CID 110760025) has the molecular formula C14H12ClN3O2S and a molecular weight of 321.79 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-3H-benzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-3H-benzimidazole-5-sulfonamide
PubChem CID110760025
Molecular FormulaC14H12ClN3O2S
Molecular Weight321.79 g/mol
Exact Mass321.03
IUPAC NameN-(3-chloro-2-methylphenyl)-3H-benzimidazole-5-sulfonamide
SMILESCc1c(Cl)cccc1NS(=O)(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C14H12ClN3O2S/c1-9-11(15)3-2-4-12(9)18-21(19,20)10-5-6-13-14(7-10)17-8-16-13/h2-8,18H,1H3,(H,16,17)
InChIKeyCCSDLYKUGPJANW-UHFFFAOYSA-N
XLogP3.33
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.79
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-4-fluorobenzenesulfonamide
CID 711089
N-(5-chloro-2-methoxyphenyl)-3H-benzimidazole-5-sulfonamide
CID 110760032
N-(3-chloro-2-methylphenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 1256135
3-amino-N-(3-chloro-2-methylphenyl)benzenesulfonamide
CID 18070649
N-(3-chloro-4-fluorophenyl)-3H-benzimidazole-5-sulfonamide
CID 110760029
6-amino-5-chloro-N-(3-chloro-2-methylphenyl)pyridine-3-sulfonamide
CID 64606596
N-(3-chloro-2-methylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 61329492
N-(3-chloro-2-methylphenyl)-3-cyanobenzenesulfonamide
CID 7938773
N-(3-chloro-2-methylphenyl)-3-(hydroxymethyl)benzenesulfonamide
CID 107318048
N-(3-chloro-2-methylphenyl)-3-ethoxy-4-fluorobenzenesulfonamide
CID 6456762
4-acetyl-N-(3-chloro-2-methylphenyl)benzenesulfonamide
CID 7938770
3-(aminomethyl)-N-(3-chloro-2-methylphenyl)-4-fluorobenzenesulfonamide
CID 28717015

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-3H-benzimidazole-5-sulfonamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-3H-benzimidazole-5-sulfonamide (CID 110760025) is N-(3-chloro-2-methylphenyl)-3H-benzimidazole-5-sulfonamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-3H-benzimidazole-5-sulfonamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-3H-benzimidazole-5-sulfonamide is Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-3H-benzimidazole-5-sulfonamide?
The InChIKey is CCSDLYKUGPJANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2S/c1-9-11(15)3-2-4-12(9)18-21(19,20)10-5-6-13-14(7-10)17-8-16-13/h2-8,18H,1H3,(H,16,17).
What are the key properties of N-(3-chloro-2-methylphenyl)-3H-benzimidazole-5-sulfonamide?
N-(3-chloro-2-methylphenyl)-3H-benzimidazole-5-sulfonamide has a molecular weight of 321.79 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-3H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 110760025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).