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

C16H11F4N3O2S — CID 10572128

IUPAC4-[2-(4-fluorophenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C16H11F4N3O2S/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)
InChIKeyHPEAMDIOUYALCD-UHFFFAOYSA-N
MW385.34 g/mol
LogP3.34
Rot. Bonds3

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

4-[2-(4-fluorophenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide (PubChem CID 10572128) has the molecular formula C16H11F4N3O2S and a molecular weight of 385.34 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
PubChem CID10572128
Molecular FormulaC16H11F4N3O2S
Molecular Weight385.34 g/mol
Exact Mass385.05
IUPAC Name4-[2-(4-fluorophenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C16H11F4N3O2S/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)
InChIKeyHPEAMDIOUYALCD-UHFFFAOYSA-N
XLogP3.34
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.34
LogP ≤ 53.34
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
N-[[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]methyl]benzenesulfonamide
CID 10151762
2-(4-Chlorophenyl)-4-methyl-1-(4-(methylsulfonyl)phenyl)-1H-imidazole
CID 9946200
N-methyl-3-(1-methyl-1H-imidazol-4-yl)-4-(((4-(trifluoromethyl)phenyl)methyl)amino)benzene-1-sulfonamide
CID 155342988
N-[2-(2-fluorophenyl)ethyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(1H-imidazol-4-ylmethyl)benzenesulfonamide
CID 483308
1-(4-Difluoromethylsulfanyl-phenyl)-3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium
CID 12005519
3-(imidazo[1,2-a]pyridin-2-yl)-N,N-dimethylbenzenesulfonamide
CID 664793
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

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[2-(4-fluorophenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide (CID 10572128) is 4-[2-(4-fluorophenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-(4-fluorophenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[2-(4-fluorophenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
The InChIKey is HPEAMDIOUYALCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F4N3O2S/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-fluorophenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
4-[2-(4-fluorophenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide has a molecular weight of 385.34 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 4-[2-(4-fluorophenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 10572128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).