1-(2,2-difluoroethyl)pyrazole-4-sulfonamide

C5H7F2N3O2S — CID 75355935

IUPAC1-(2,2-difluoroethyl)pyrazole-4-sulfonamide
SMILESNS(=O)(=O)c1cnn(CC(F)F)c1
InChIInChI=1S/C5H7F2N3O2S/c6-5(7)3-10-2-4(1-9-10)13(8,11)12/h1-2,5H,3H2,(H2,8,11,12)
InChIKeyHYLXROZSDAZMRZ-UHFFFAOYSA-N
MW211.19 g/mol
LogP-0.20
Rot. Bonds3

About 1-(2,2-difluoroethyl)pyrazole-4-sulfonamide

1-(2,2-difluoroethyl)pyrazole-4-sulfonamide (PubChem CID 75355935) has the molecular formula C5H7F2N3O2S and a molecular weight of 211.19 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)pyrazole-4-sulfonamide
PubChem CID75355935
Molecular FormulaC5H7F2N3O2S
Molecular Weight211.19 g/mol
Exact Mass211.02
IUPAC Name1-(2,2-difluoroethyl)pyrazole-4-sulfonamide
SMILESNS(=O)(=O)c1cnn(CC(F)F)c1
InChIInChI=1S/C5H7F2N3O2S/c6-5(7)3-10-2-4(1-9-10)13(8,11)12/h1-2,5H,3H2,(H2,8,11,12)
InChIKeyHYLXROZSDAZMRZ-UHFFFAOYSA-N
XLogP-0.20
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(2,2-difluoroethyl)pyrazole-4-sulfonamide (CID 75355935) is 1-(2,2-difluoroethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2,2-difluoroethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(2,2-difluoroethyl)pyrazole-4-sulfonamide is NS(=O)(=O)c1cnn(CC(F)F)c1.
What is the InChIKey of 1-(2,2-difluoroethyl)pyrazole-4-sulfonamide?
The InChIKey is HYLXROZSDAZMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2N3O2S/c6-5(7)3-10-2-4(1-9-10)13(8,11)12/h1-2,5H,3H2,(H2,8,11,12).
What are the key properties of 1-(2,2-difluoroethyl)pyrazole-4-sulfonamide?
1-(2,2-difluoroethyl)pyrazole-4-sulfonamide has a molecular weight of 211.19 g/mol, XLogP of -0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 75355935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).