1-(1,1-difluoroethyl)-4-fluoropyrazole-3-sulfonamide

C5H6F3N3O2S — CID 146571427

IUPAC1-(1,1-difluoroethyl)-4-fluoropyrazole-3-sulfonamide
SMILESCC(F)(F)n1cc(F)c(S(N)(=O)=O)n1
InChIInChI=1S/C5H6F3N3O2S/c1-5(7,8)11-2-3(6)4(10-11)14(9,12)13/h2H,1H3,(H2,9,12,13)
InChIKeyYJSCAGAVLMUVDN-UHFFFAOYSA-N
MW229.18 g/mol
LogP0.24
Rot. Bonds2

About 1-(1,1-difluoroethyl)-4-fluoropyrazole-3-sulfonamide

1-(1,1-difluoroethyl)-4-fluoropyrazole-3-sulfonamide (PubChem CID 146571427) has the molecular formula C5H6F3N3O2S and a molecular weight of 229.18 g/mol. Its IUPAC name is 1-(1,1-difluoroethyl)-4-fluoropyrazole-3-sulfonamide.

Molecular Properties

Compound Name1-(1,1-difluoroethyl)-4-fluoropyrazole-3-sulfonamide
PubChem CID146571427
Molecular FormulaC5H6F3N3O2S
Molecular Weight229.18 g/mol
Exact Mass229.01
IUPAC Name1-(1,1-difluoroethyl)-4-fluoropyrazole-3-sulfonamide
SMILESCC(F)(F)n1cc(F)c(S(N)(=O)=O)n1
InChIInChI=1S/C5H6F3N3O2S/c1-5(7,8)11-2-3(6)4(10-11)14(9,12)13/h2H,1H3,(H2,9,12,13)
InChIKeyYJSCAGAVLMUVDN-UHFFFAOYSA-N
XLogP0.24
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.18
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1,1-difluoroethyl)-4-fluoropyrazole-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoroethyl)-4-fluoropyrazole-3-sulfonamide?
The IUPAC name of 1-(1,1-difluoroethyl)-4-fluoropyrazole-3-sulfonamide (CID 146571427) is 1-(1,1-difluoroethyl)-4-fluoropyrazole-3-sulfonamide.
What is the SMILES notation for 1-(1,1-difluoroethyl)-4-fluoropyrazole-3-sulfonamide?
The canonical SMILES for 1-(1,1-difluoroethyl)-4-fluoropyrazole-3-sulfonamide is CC(F)(F)n1cc(F)c(S(N)(=O)=O)n1.
What is the InChIKey of 1-(1,1-difluoroethyl)-4-fluoropyrazole-3-sulfonamide?
The InChIKey is YJSCAGAVLMUVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3O2S/c1-5(7,8)11-2-3(6)4(10-11)14(9,12)13/h2H,1H3,(H2,9,12,13).
What are the key properties of 1-(1,1-difluoroethyl)-4-fluoropyrazole-3-sulfonamide?
1-(1,1-difluoroethyl)-4-fluoropyrazole-3-sulfonamide has a molecular weight of 229.18 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoroethyl)-4-fluoropyrazole-3-sulfonamide is sourced from PubChem (CID 146571427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).