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

C14H12ClN3O3S — CID 110760032

IUPACN-(5-chloro-2-methoxyphenyl)-3H-benzimidazole-5-sulfonamide
SMILESCOc1ccc(Cl)cc1NS(=O)(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C14H12ClN3O3S/c1-21-14-5-2-9(15)6-13(14)18-22(19,20)10-3-4-11-12(7-10)17-8-16-11/h2-8,18H,1H3,(H,16,17)
InChIKeyARUCGSVUEQTXJH-UHFFFAOYSA-N
MW337.79 g/mol
LogP3.03
Rot. Bonds4

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

N-(5-chloro-2-methoxyphenyl)-3H-benzimidazole-5-sulfonamide (PubChem CID 110760032) has the molecular formula C14H12ClN3O3S and a molecular weight of 337.79 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3H-benzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3H-benzimidazole-5-sulfonamide
PubChem CID110760032
Molecular FormulaC14H12ClN3O3S
Molecular Weight337.79 g/mol
Exact Mass337.03
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3H-benzimidazole-5-sulfonamide
SMILESCOc1ccc(Cl)cc1NS(=O)(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C14H12ClN3O3S/c1-21-14-5-2-9(15)6-13(14)18-22(19,20)10-3-4-11-12(7-10)17-8-16-11/h2-8,18H,1H3,(H,16,17)
InChIKeyARUCGSVUEQTXJH-UHFFFAOYSA-N
XLogP3.03
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.79
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(5-chloro-2-methoxyphenyl)-3H-benzimidazole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-dimethoxyphenyl)-3H-benzimidazole-5-sulfonamide
CID 110760043
3-chloro-N-(5-chloro-2-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 5202468
N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 7354133
N-(5-chloro-2-methoxyphenyl)-3,4-diethoxybenzenesulfonamide
CID 9172723
N-(5-chloro-2-methoxyphenyl)-6-methoxynaphthalene-2-sulfonamide
CID 100666504
N-(3-chloro-2-methylphenyl)-3H-benzimidazole-5-sulfonamide
CID 110760025
N-(5-chloro-2-methoxyphenyl)-4-ethoxy-3-propan-2-ylbenzenesulfonamide
CID 6456783
N-(3-chloro-4-fluorophenyl)-3H-benzimidazole-5-sulfonamide
CID 110760029
N-(5-chloro-2-methoxyphenyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide
CID 46417535
N-[2-chloro-4-[(5-chloro-2-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 25042468
5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
CID 1326389
N-(5-tert-butyl-2-methoxyphenyl)-4-chlorobenzenesulfonamide
CID 7940797

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3H-benzimidazole-5-sulfonamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3H-benzimidazole-5-sulfonamide (CID 110760032) is N-(5-chloro-2-methoxyphenyl)-3H-benzimidazole-5-sulfonamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3H-benzimidazole-5-sulfonamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3H-benzimidazole-5-sulfonamide is COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3H-benzimidazole-5-sulfonamide?
The InChIKey is ARUCGSVUEQTXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3S/c1-21-14-5-2-9(15)6-13(14)18-22(19,20)10-3-4-11-12(7-10)17-8-16-11/h2-8,18H,1H3,(H,16,17).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3H-benzimidazole-5-sulfonamide?
N-(5-chloro-2-methoxyphenyl)-3H-benzimidazole-5-sulfonamide has a molecular weight of 337.79 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-3H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 110760032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).