4-[5-cyclohexyl-3-(trifluoromethyl)pyrazol-1-yl]-2-fluorobenzenesulfonamide

C16H17F4N3O2S — CID 139967083

IUPAC4-[5-cyclohexyl-3-(trifluoromethyl)pyrazol-1-yl]-2-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2C2CCCCC2)cc1F
InChIInChI=1S/C16H17F4N3O2S/c17-12-8-11(6-7-14(12)26(21,24)25)23-13(10-4-2-1-3-5-10)9-15(22-23)16(18,19)20/h6-10H,1-5H2,(H2,21,24,25)
InChIKeyZXZIRTIVPOEZEU-UHFFFAOYSA-N
MW391.39 g/mol
LogP3.73
Rot. Bonds3

About 4-[5-cyclohexyl-3-(trifluoromethyl)pyrazol-1-yl]-2-fluorobenzenesulfonamide

4-[5-cyclohexyl-3-(trifluoromethyl)pyrazol-1-yl]-2-fluorobenzenesulfonamide (PubChem CID 139967083) has the molecular formula C16H17F4N3O2S and a molecular weight of 391.39 g/mol. Its IUPAC name is 4-[5-cyclohexyl-3-(trifluoromethyl)pyrazol-1-yl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-[5-cyclohexyl-3-(trifluoromethyl)pyrazol-1-yl]-2-fluorobenzenesulfonamide
PubChem CID139967083
Molecular FormulaC16H17F4N3O2S
Molecular Weight391.39 g/mol
Exact Mass391.10
IUPAC Name4-[5-cyclohexyl-3-(trifluoromethyl)pyrazol-1-yl]-2-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2C2CCCCC2)cc1F
InChIInChI=1S/C16H17F4N3O2S/c17-12-8-11(6-7-14(12)26(21,24)25)23-13(10-4-2-1-3-5-10)9-15(22-23)16(18,19)20/h6-10H,1-5H2,(H2,21,24,25)
InChIKeyZXZIRTIVPOEZEU-UHFFFAOYSA-N
XLogP3.73
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-cyclopentyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 10133073
2-fluoro-4-[5-[4-(1,3-thiazol-4-yl)-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 22316974
4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylaniline
CID 134377497
1-[(2S)-5-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-2-one
CID 25014668
4-[5-[3-ethyl-4-(1,3-thiazol-4-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]-2-fluorobenzenesulfonamide
CID 22316830
4-[5-cyclohexyloxy-3-(trifluoromethyl)pyrazol-1-yl]-2-fluorobenzenesulfinamide
CID 142082565
4-(4-cyclopentyl-3-sulfanylphenyl)-2-fluorobenzenesulfonamide
CID 91461103
2-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-3,5-dimethyl-3H-1,2-oxazole
CID 141307764
tert-butyl 4-[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]piperidine-1-carboxylate
CID 118166974
(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]piperidin-1-yl]propan-1-one
CID 118182697
2-chloro-N'-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanimidamide
CID 169368196
N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide
CID 154467833

Frequently Asked Questions

What is the IUPAC name of 4-[5-cyclohexyl-3-(trifluoromethyl)pyrazol-1-yl]-2-fluorobenzenesulfonamide?
The IUPAC name of 4-[5-cyclohexyl-3-(trifluoromethyl)pyrazol-1-yl]-2-fluorobenzenesulfonamide (CID 139967083) is 4-[5-cyclohexyl-3-(trifluoromethyl)pyrazol-1-yl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-[5-cyclohexyl-3-(trifluoromethyl)pyrazol-1-yl]-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-[5-cyclohexyl-3-(trifluoromethyl)pyrazol-1-yl]-2-fluorobenzenesulfonamide is NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2C2CCCCC2)cc1F.
What is the InChIKey of 4-[5-cyclohexyl-3-(trifluoromethyl)pyrazol-1-yl]-2-fluorobenzenesulfonamide?
The InChIKey is ZXZIRTIVPOEZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F4N3O2S/c17-12-8-11(6-7-14(12)26(21,24)25)23-13(10-4-2-1-3-5-10)9-15(22-23)16(18,19)20/h6-10H,1-5H2,(H2,21,24,25).
What are the key properties of 4-[5-cyclohexyl-3-(trifluoromethyl)pyrazol-1-yl]-2-fluorobenzenesulfonamide?
4-[5-cyclohexyl-3-(trifluoromethyl)pyrazol-1-yl]-2-fluorobenzenesulfonamide has a molecular weight of 391.39 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-cyclohexyl-3-(trifluoromethyl)pyrazol-1-yl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 139967083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).