3-chloro-4-methyl-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide

C17H15ClF3N3O2S — CID 53085012

IUPAC3-chloro-4-methyl-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCn2c(C(F)(F)F)nc3ccccc32)cc1Cl
InChIInChI=1S/C17H15ClF3N3O2S/c1-11-6-7-12(10-13(11)18)27(25,26)22-8-9-24-15-5-3-2-4-14(15)23-16(24)17(19,20)21/h2-7,10,22H,8-9H2,1H3
InChIKeyQWCPOIVKJHWGBP-UHFFFAOYSA-N
MW417.84 g/mol
LogP4.00
Rot. Bonds5

About 3-chloro-4-methyl-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide

3-chloro-4-methyl-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide (PubChem CID 53085012) has the molecular formula C17H15ClF3N3O2S and a molecular weight of 417.84 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-methyl-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide
PubChem CID53085012
Molecular FormulaC17H15ClF3N3O2S
Molecular Weight417.84 g/mol
Exact Mass417.05
IUPAC Name3-chloro-4-methyl-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCn2c(C(F)(F)F)nc3ccccc32)cc1Cl
InChIInChI=1S/C17H15ClF3N3O2S/c1-11-6-7-12(10-13(11)18)27(25,26)22-8-9-24-15-5-3-2-4-14(15)23-16(24)17(19,20)21/h2-7,10,22H,8-9H2,1H3
InChIKeyQWCPOIVKJHWGBP-UHFFFAOYSA-N
XLogP4.00
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.84
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-4-methyl-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide 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

1-phenyl-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]methanesulfonamide
CID 53063314
3,4-difluoro-N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]benzenesulfonamide
CID 53063208
N-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]-3,4-dimethylbenzenesulfonamide
CID 53063234
4-fluoro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzenesulfonamide
CID 1447983
3-chloro-4-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 3482248
4-propyl-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide
CID 50762290
2-chloro-5-(2-methoxyethylsulfamoyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 31789852
3-chloro-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]benzenesulfonamide
CID 53063297
3-methyl-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]benzenesulfonamide
CID 53063305
1-butyl-2-(trifluoromethyl)benzimidazole
CID 3746789
3-chloro-4-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 119966394
3-chloro-4-methoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide
CID 46286471

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-methyl-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide (CID 53085012) is 3-chloro-4-methyl-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-methyl-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-methyl-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCCn2c(C(F)(F)F)nc3ccccc32)cc1Cl.
What is the InChIKey of 3-chloro-4-methyl-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide?
The InChIKey is QWCPOIVKJHWGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3N3O2S/c1-11-6-7-12(10-13(11)18)27(25,26)22-8-9-24-15-5-3-2-4-14(15)23-16(24)17(19,20)21/h2-7,10,22H,8-9H2,1H3.
What are the key properties of 3-chloro-4-methyl-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide?
3-chloro-4-methyl-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide has a molecular weight of 417.84 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 53085012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).