4,5-dimethyl-3-(trifluoromethyl)pyrazole-1-sulfonamide

C6H8F3N3O2S — CID 154462921

IUPAC4,5-dimethyl-3-(trifluoromethyl)pyrazole-1-sulfonamide
SMILESCc1c(C(F)(F)F)nn(S(N)(=O)=O)c1C
InChIInChI=1S/C6H8F3N3O2S/c1-3-4(2)12(15(10,13)14)11-5(3)6(7,8)9/h1-2H3,(H2,10,13,14)
InChIKeySLSRPHMGYGBCEL-UHFFFAOYSA-N
MW243.21 g/mol
LogP0.57
Rot. Bonds1

About 4,5-dimethyl-3-(trifluoromethyl)pyrazole-1-sulfonamide

4,5-dimethyl-3-(trifluoromethyl)pyrazole-1-sulfonamide (PubChem CID 154462921) has the molecular formula C6H8F3N3O2S and a molecular weight of 243.21 g/mol. Its IUPAC name is 4,5-dimethyl-3-(trifluoromethyl)pyrazole-1-sulfonamide.

Molecular Properties

Compound Name4,5-dimethyl-3-(trifluoromethyl)pyrazole-1-sulfonamide
PubChem CID154462921
Molecular FormulaC6H8F3N3O2S
Molecular Weight243.21 g/mol
Exact Mass243.03
IUPAC Name4,5-dimethyl-3-(trifluoromethyl)pyrazole-1-sulfonamide
SMILESCc1c(C(F)(F)F)nn(S(N)(=O)=O)c1C
InChIInChI=1S/C6H8F3N3O2S/c1-3-4(2)12(15(10,13)14)11-5(3)6(7,8)9/h1-2H3,(H2,10,13,14)
InChIKeySLSRPHMGYGBCEL-UHFFFAOYSA-N
XLogP0.57
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3-(trifluoromethyl)pyrazole-1-sulfonamide?
The IUPAC name of 4,5-dimethyl-3-(trifluoromethyl)pyrazole-1-sulfonamide (CID 154462921) is 4,5-dimethyl-3-(trifluoromethyl)pyrazole-1-sulfonamide.
What is the SMILES notation for 4,5-dimethyl-3-(trifluoromethyl)pyrazole-1-sulfonamide?
The canonical SMILES for 4,5-dimethyl-3-(trifluoromethyl)pyrazole-1-sulfonamide is Cc1c(C(F)(F)F)nn(S(N)(=O)=O)c1C.
What is the InChIKey of 4,5-dimethyl-3-(trifluoromethyl)pyrazole-1-sulfonamide?
The InChIKey is SLSRPHMGYGBCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3O2S/c1-3-4(2)12(15(10,13)14)11-5(3)6(7,8)9/h1-2H3,(H2,10,13,14).
What are the key properties of 4,5-dimethyl-3-(trifluoromethyl)pyrazole-1-sulfonamide?
4,5-dimethyl-3-(trifluoromethyl)pyrazole-1-sulfonamide has a molecular weight of 243.21 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3-(trifluoromethyl)pyrazole-1-sulfonamide is sourced from PubChem (CID 154462921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).