N-(5-chloro-2-methylphenyl)-1-methylbenzimidazole-5-sulfonamide

C15H14ClN3O2S — CID 110760324

IUPACN-(5-chloro-2-methylphenyl)-1-methylbenzimidazole-5-sulfonamide
SMILESCc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)ncn2C
InChIInChI=1S/C15H14ClN3O2S/c1-10-3-4-11(16)7-13(10)18-22(20,21)12-5-6-15-14(8-12)17-9-19(15)2/h3-9,18H,1-2H3
InChIKeyJMETUAQAKOCNRC-UHFFFAOYSA-N
MW335.82 g/mol
LogP3.34
Rot. Bonds3

About N-(5-chloro-2-methylphenyl)-1-methylbenzimidazole-5-sulfonamide

N-(5-chloro-2-methylphenyl)-1-methylbenzimidazole-5-sulfonamide (PubChem CID 110760324) has the molecular formula C15H14ClN3O2S and a molecular weight of 335.82 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-1-methylbenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-1-methylbenzimidazole-5-sulfonamide
PubChem CID110760324
Molecular FormulaC15H14ClN3O2S
Molecular Weight335.82 g/mol
Exact Mass335.05
IUPAC NameN-(5-chloro-2-methylphenyl)-1-methylbenzimidazole-5-sulfonamide
SMILESCc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)ncn2C
InChIInChI=1S/C15H14ClN3O2S/c1-10-3-4-11(16)7-13(10)18-22(20,21)12-5-6-15-14(8-12)17-9-19(15)2/h3-9,18H,1-2H3
InChIKeyJMETUAQAKOCNRC-UHFFFAOYSA-N
XLogP3.34
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.82
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 2697102
N-cyclopentyl-1-methylbenzimidazole-5-sulfonamide
CID 110760236
4-fluoro-3-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzenesulfonamide
CID 110785857
3-amino-4-bromo-N-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 115328687
4-[(5-chloro-2-methylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 30059495
4-bromo-N-(5-chloro-2-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 98000667
N-(5-chloro-2-methylphenyl)-2-oxo-3-propan-2-yl-1,3-benzothiazole-6-sulfonamide
CID 100729347
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylbenzimidazole-5-sulfonamide
CID 110760353
4-chloro-N-(5-iodo-2-methylphenyl)benzenesulfonamide
CID 114257249
2-(1-methylbenzimidazol-5-yl)sulfonylethanamine
CID 116853429
N-(5-chloro-2-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 22775093
1-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-(4-chlorophenyl)urea
CID 2983994

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-1-methylbenzimidazole-5-sulfonamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-1-methylbenzimidazole-5-sulfonamide (CID 110760324) is N-(5-chloro-2-methylphenyl)-1-methylbenzimidazole-5-sulfonamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-1-methylbenzimidazole-5-sulfonamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-1-methylbenzimidazole-5-sulfonamide is Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)ncn2C.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-1-methylbenzimidazole-5-sulfonamide?
The InChIKey is JMETUAQAKOCNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2S/c1-10-3-4-11(16)7-13(10)18-22(20,21)12-5-6-15-14(8-12)17-9-19(15)2/h3-9,18H,1-2H3.
What are the key properties of N-(5-chloro-2-methylphenyl)-1-methylbenzimidazole-5-sulfonamide?
N-(5-chloro-2-methylphenyl)-1-methylbenzimidazole-5-sulfonamide has a molecular weight of 335.82 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-1-methylbenzimidazole-5-sulfonamide is sourced from PubChem (CID 110760324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).