4-[5-cyclohexyloxy-3-(trifluoromethyl)pyrazol-1-yl]-2-fluorobenzenesulfinamide

C16H17F4N3O2S — CID 142082565

IUPAC4-[5-cyclohexyloxy-3-(trifluoromethyl)pyrazol-1-yl]-2-fluorobenzenesulfinamide
SMILESNS(=O)c1ccc(-n2nc(C(F)(F)F)cc2OC2CCCCC2)cc1F
InChIInChI=1S/C16H17F4N3O2S/c17-12-8-10(6-7-13(12)26(21)24)23-15(9-14(22-23)16(18,19)20)25-11-4-2-1-3-5-11/h6-9,11H,1-5,21H2
InChIKeyCFPHSCOESGWSDF-UHFFFAOYSA-N
MW391.39 g/mol
LogP3.72
Rot. Bonds4

About 4-[5-cyclohexyloxy-3-(trifluoromethyl)pyrazol-1-yl]-2-fluorobenzenesulfinamide

4-[5-cyclohexyloxy-3-(trifluoromethyl)pyrazol-1-yl]-2-fluorobenzenesulfinamide (PubChem CID 142082565) has the molecular formula C16H17F4N3O2S and a molecular weight of 391.39 g/mol. Its IUPAC name is 4-[5-cyclohexyloxy-3-(trifluoromethyl)pyrazol-1-yl]-2-fluorobenzenesulfinamide.

Molecular Properties

Compound Name4-[5-cyclohexyloxy-3-(trifluoromethyl)pyrazol-1-yl]-2-fluorobenzenesulfinamide
PubChem CID142082565
Molecular FormulaC16H17F4N3O2S
Molecular Weight391.39 g/mol
Exact Mass391.10
IUPAC Name4-[5-cyclohexyloxy-3-(trifluoromethyl)pyrazol-1-yl]-2-fluorobenzenesulfinamide
SMILESNS(=O)c1ccc(-n2nc(C(F)(F)F)cc2OC2CCCCC2)cc1F
InChIInChI=1S/C16H17F4N3O2S/c17-12-8-10(6-7-13(12)26(21)24)23-15(9-14(22-23)16(18,19)20)25-11-4-2-1-3-5-11/h6-9,11H,1-5,21H2
InChIKeyCFPHSCOESGWSDF-UHFFFAOYSA-N
XLogP3.72
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-cyclohexyl-3-(trifluoromethyl)pyrazol-1-yl]-2-fluorobenzenesulfonamide
CID 139967083
2-[4-[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-3-methyl-5-(trifluoromethyl)-2,3-dihydropyridine
CID 162554820
[1-(3,4-difluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine
CID 70847705
[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl] cyclopentanecarboxylate
CID 42728117
4-[5-cyclopentyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 10133073
1-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanone
CID 162378403
4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 10403773
4-[1-(3-chloro-4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-2-fluorobenzenesulfinic acid
CID 57088038
1-[3-fluoro-4-(methoxymethyl)phenyl]-5-methyl-3-(trifluoromethyl)pyrazole
CID 177142069
4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfinamide
CID 142108640
5-methoxy-1-phenyl-3-(trifluoromethyl)pyrazole
CID 22731897
4-[5-(difluoromethoxy)-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid
CID 18449043

Frequently Asked Questions

What is the IUPAC name of 4-[5-cyclohexyloxy-3-(trifluoromethyl)pyrazol-1-yl]-2-fluorobenzenesulfinamide?
The IUPAC name of 4-[5-cyclohexyloxy-3-(trifluoromethyl)pyrazol-1-yl]-2-fluorobenzenesulfinamide (CID 142082565) is 4-[5-cyclohexyloxy-3-(trifluoromethyl)pyrazol-1-yl]-2-fluorobenzenesulfinamide.
What is the SMILES notation for 4-[5-cyclohexyloxy-3-(trifluoromethyl)pyrazol-1-yl]-2-fluorobenzenesulfinamide?
The canonical SMILES for 4-[5-cyclohexyloxy-3-(trifluoromethyl)pyrazol-1-yl]-2-fluorobenzenesulfinamide is NS(=O)c1ccc(-n2nc(C(F)(F)F)cc2OC2CCCCC2)cc1F.
What is the InChIKey of 4-[5-cyclohexyloxy-3-(trifluoromethyl)pyrazol-1-yl]-2-fluorobenzenesulfinamide?
The InChIKey is CFPHSCOESGWSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F4N3O2S/c17-12-8-10(6-7-13(12)26(21)24)23-15(9-14(22-23)16(18,19)20)25-11-4-2-1-3-5-11/h6-9,11H,1-5,21H2.
What are the key properties of 4-[5-cyclohexyloxy-3-(trifluoromethyl)pyrazol-1-yl]-2-fluorobenzenesulfinamide?
4-[5-cyclohexyloxy-3-(trifluoromethyl)pyrazol-1-yl]-2-fluorobenzenesulfinamide has a molecular weight of 391.39 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-cyclohexyloxy-3-(trifluoromethyl)pyrazol-1-yl]-2-fluorobenzenesulfinamide is sourced from PubChem (CID 142082565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).