4,4-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclohexane-1-sulfonamide

C13H20F3N3O2S — CID 75499050

IUPAC4,4-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclohexane-1-sulfonamide
SMILESCC1(C)CCC(S(=O)(=O)Nc2cnn(CC(F)(F)F)c2)CC1
InChIInChI=1S/C13H20F3N3O2S/c1-12(2)5-3-11(4-6-12)22(20,21)18-10-7-17-19(8-10)9-13(14,15)16/h7-8,11,18H,3-6,9H2,1-2H3
InChIKeyUCWXNDOFDMLPLA-UHFFFAOYSA-N
MW339.38 g/mol
LogP3.16
Rot. Bonds4

About 4,4-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclohexane-1-sulfonamide

4,4-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclohexane-1-sulfonamide (PubChem CID 75499050) has the molecular formula C13H20F3N3O2S and a molecular weight of 339.38 g/mol. Its IUPAC name is 4,4-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclohexane-1-sulfonamide.

Molecular Properties

Compound Name4,4-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclohexane-1-sulfonamide
PubChem CID75499050
Molecular FormulaC13H20F3N3O2S
Molecular Weight339.38 g/mol
Exact Mass339.12
IUPAC Name4,4-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclohexane-1-sulfonamide
SMILESCC1(C)CCC(S(=O)(=O)Nc2cnn(CC(F)(F)F)c2)CC1
InChIInChI=1S/C13H20F3N3O2S/c1-12(2)5-3-11(4-6-12)22(20,21)18-10-7-17-19(8-10)9-13(14,15)16/h7-8,11,18H,3-6,9H2,1-2H3
InChIKeyUCWXNDOFDMLPLA-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclohexane-1-sulfonamide?
The IUPAC name of 4,4-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclohexane-1-sulfonamide (CID 75499050) is 4,4-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclohexane-1-sulfonamide.
What is the SMILES notation for 4,4-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclohexane-1-sulfonamide?
The canonical SMILES for 4,4-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclohexane-1-sulfonamide is CC1(C)CCC(S(=O)(=O)Nc2cnn(CC(F)(F)F)c2)CC1.
What is the InChIKey of 4,4-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclohexane-1-sulfonamide?
The InChIKey is UCWXNDOFDMLPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O2S/c1-12(2)5-3-11(4-6-12)22(20,21)18-10-7-17-19(8-10)9-13(14,15)16/h7-8,11,18H,3-6,9H2,1-2H3.
What are the key properties of 4,4-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclohexane-1-sulfonamide?
4,4-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclohexane-1-sulfonamide has a molecular weight of 339.38 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclohexane-1-sulfonamide is sourced from PubChem (CID 75499050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).