1-propan-2-yl-N-[2-(trifluoromethyl)cyclohexyl]pyrazole-4-sulfonamide

C13H20F3N3O2S — CID 71997802

IUPAC1-propan-2-yl-N-[2-(trifluoromethyl)cyclohexyl]pyrazole-4-sulfonamide
SMILESCC(C)n1cc(S(=O)(=O)NC2CCCCC2C(F)(F)F)cn1
InChIInChI=1S/C13H20F3N3O2S/c1-9(2)19-8-10(7-17-19)22(20,21)18-12-6-4-3-5-11(12)13(14,15)16/h7-9,11-12,18H,3-6H2,1-2H3
InChIKeyYCYWFXANUVRAHK-UHFFFAOYSA-N
MW339.38 g/mol
LogP2.86
Rot. Bonds4

About 1-propan-2-yl-N-[2-(trifluoromethyl)cyclohexyl]pyrazole-4-sulfonamide

1-propan-2-yl-N-[2-(trifluoromethyl)cyclohexyl]pyrazole-4-sulfonamide (PubChem CID 71997802) has the molecular formula C13H20F3N3O2S and a molecular weight of 339.38 g/mol. Its IUPAC name is 1-propan-2-yl-N-[2-(trifluoromethyl)cyclohexyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-propan-2-yl-N-[2-(trifluoromethyl)cyclohexyl]pyrazole-4-sulfonamide
PubChem CID71997802
Molecular FormulaC13H20F3N3O2S
Molecular Weight339.38 g/mol
Exact Mass339.12
IUPAC Name1-propan-2-yl-N-[2-(trifluoromethyl)cyclohexyl]pyrazole-4-sulfonamide
SMILESCC(C)n1cc(S(=O)(=O)NC2CCCCC2C(F)(F)F)cn1
InChIInChI=1S/C13H20F3N3O2S/c1-9(2)19-8-10(7-17-19)22(20,21)18-12-6-4-3-5-11(12)13(14,15)16/h7-9,11-12,18H,3-6H2,1-2H3
InChIKeyYCYWFXANUVRAHK-UHFFFAOYSA-N
XLogP2.86
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-[2-(trifluoromethyl)cyclohexyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-propan-2-yl-N-[2-(trifluoromethyl)cyclohexyl]pyrazole-4-sulfonamide (CID 71997802) is 1-propan-2-yl-N-[2-(trifluoromethyl)cyclohexyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-propan-2-yl-N-[2-(trifluoromethyl)cyclohexyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-propan-2-yl-N-[2-(trifluoromethyl)cyclohexyl]pyrazole-4-sulfonamide is CC(C)n1cc(S(=O)(=O)NC2CCCCC2C(F)(F)F)cn1.
What is the InChIKey of 1-propan-2-yl-N-[2-(trifluoromethyl)cyclohexyl]pyrazole-4-sulfonamide?
The InChIKey is YCYWFXANUVRAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O2S/c1-9(2)19-8-10(7-17-19)22(20,21)18-12-6-4-3-5-11(12)13(14,15)16/h7-9,11-12,18H,3-6H2,1-2H3.
What are the key properties of 1-propan-2-yl-N-[2-(trifluoromethyl)cyclohexyl]pyrazole-4-sulfonamide?
1-propan-2-yl-N-[2-(trifluoromethyl)cyclohexyl]pyrazole-4-sulfonamide has a molecular weight of 339.38 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-[2-(trifluoromethyl)cyclohexyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 71997802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).