4-[2-(4-chlorophenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide

C16H11ClF3N3O2S — CID 10644759

IUPAC4-[2-(4-chlorophenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H11ClF3N3O2S/c17-11-3-1-10(2-4-11)15-22-14(16(18,19)20)9-23(15)12-5-7-13(8-6-12)26(21,24)25/h1-9H,(H2,21,24,25)
InChIKeyZINNGAUEQDMHNV-UHFFFAOYSA-N
MW401.80 g/mol
LogP3.86
Rot. Bonds3

About 4-[2-(4-chlorophenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide

4-[2-(4-chlorophenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide (PubChem CID 10644759) has the molecular formula C16H11ClF3N3O2S and a molecular weight of 401.80 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
PubChem CID10644759
Molecular FormulaC16H11ClF3N3O2S
Molecular Weight401.80 g/mol
Exact Mass401.02
IUPAC Name4-[2-(4-chlorophenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H11ClF3N3O2S/c17-11-3-1-10(2-4-11)15-22-14(16(18,19)20)9-23(15)12-5-7-13(8-6-12)26(21,24)25/h1-9H,(H2,21,24,25)
InChIKeyZINNGAUEQDMHNV-UHFFFAOYSA-N
XLogP3.86
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.80
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-Methyl-3-(1-methyl-1H-imidazol-4-yl)-4-((4-(trifluoromethyl)phenyl)amino)benzenesulfonamide
CID 137534047
2-(4-Chlorophenyl)-4-methyl-1-(4-(methylsulfonyl)phenyl)-1H-imidazole
CID 9946200
4-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N,N-diethylbenzenesulfonamide
CID 1157247
3-(4-Chloro-phenyl)-1-(4-difluoromethylsulfanyl-phenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium
CID 12005569
4-(2-Pyridin-3-yl-4-trifluoromethyl-imidazol-1-yl)-benzenesulfonamide
CID 9799387
4-[2-(3-Chloro-phenyl)-4-trifluoromethyl-imidazol-1-yl]-benzenesulfonamide
CID 9801204
2-(3-Chloro-phenyl)-1-(4-methanesulfonyl-phenyl)-4-trifluoromethyl-1H-imidazole
CID 9822332
4-[2-(5-Methyl-pyridin-3-yl)-4-trifluoromethyl-imidazol-1-yl]-benzenesulfonamide
CID 9842937
3-[1-[4-(methylsulfonyl)phenyl]-4-trifluoromethyl-1H-imidazol-2-yl]pyridine
CID 9929140
1-(4-(methylsulfonyl)phenyl]-2-phenyl-4-trifluoromethyl-1H-imidazole
CID 9947305
1-(4-Methanesulfonyl-phenyl)-2-m-tolyl-4-trifluoromethyl-1H-imidazole
CID 10110298
4-Chloro-5-(3,5-difluoro-phenyl)-1-(4-methanesulfonyl-phenyl)-1H-imidazole
CID 10133653

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[2-(4-chlorophenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide (CID 10644759) is 4-[2-(4-chlorophenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(4-chlorophenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-(4-chlorophenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[2-(4-chlorophenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
The InChIKey is ZINNGAUEQDMHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3N3O2S/c17-11-3-1-10(2-4-11)15-22-14(16(18,19)20)9-23(15)12-5-7-13(8-6-12)26(21,24)25/h1-9H,(H2,21,24,25).
What are the key properties of 4-[2-(4-chlorophenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
4-[2-(4-chlorophenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide has a molecular weight of 401.80 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 10644759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).