4-[5-cyclopentyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

C15H16F3N3O2S — CID 10133073

IUPAC4-[5-cyclopentyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2C2CCCC2)cc1
InChIInChI=1S/C15H16F3N3O2S/c16-15(17,18)14-9-13(10-3-1-2-4-10)21(20-14)11-5-7-12(8-6-11)24(19,22)23/h5-10H,1-4H2,(H2,19,22,23)
InChIKeyYJAJDVLFKJRZEH-UHFFFAOYSA-N
MW359.37 g/mol
LogP3.20
Rot. Bonds3

About 4-[5-cyclopentyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

4-[5-cyclopentyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 10133073) has the molecular formula C15H16F3N3O2S and a molecular weight of 359.37 g/mol. Its IUPAC name is 4-[5-cyclopentyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-cyclopentyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID10133073
Molecular FormulaC15H16F3N3O2S
Molecular Weight359.37 g/mol
Exact Mass359.09
IUPAC Name4-[5-cyclopentyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2C2CCCC2)cc1
InChIInChI=1S/C15H16F3N3O2S/c16-15(17,18)14-9-13(10-3-1-2-4-10)21(20-14)11-5-7-12(8-6-11)24(19,22)23/h5-10H,1-4H2,(H2,19,22,23)
InChIKeyYJAJDVLFKJRZEH-UHFFFAOYSA-N
XLogP3.20
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-cyclopentyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-cyclopentyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (CID 10133073) is 4-[5-cyclopentyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-cyclopentyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-cyclopentyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2C2CCCC2)cc1.
What is the InChIKey of 4-[5-cyclopentyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is YJAJDVLFKJRZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O2S/c16-15(17,18)14-9-13(10-3-1-2-4-10)21(20-14)11-5-7-12(8-6-11)24(19,22)23/h5-10H,1-4H2,(H2,19,22,23).
What are the key properties of 4-[5-cyclopentyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
4-[5-cyclopentyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 359.37 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-cyclopentyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 10133073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).