1-(1,1-difluoroethyl)pyrazole-3-sulfonamide

C5H7F2N3O2S — CID 146571437

IUPAC1-(1,1-difluoroethyl)pyrazole-3-sulfonamide
SMILESCC(F)(F)n1ccc(S(N)(=O)=O)n1
InChIInChI=1S/C5H7F2N3O2S/c1-5(6,7)10-3-2-4(9-10)13(8,11)12/h2-3H,1H3,(H2,8,11,12)
InChIKeyYCTLJMJGGCSFSB-UHFFFAOYSA-N
MW211.19 g/mol
LogP0.10
Rot. Bonds2

About 1-(1,1-difluoroethyl)pyrazole-3-sulfonamide

1-(1,1-difluoroethyl)pyrazole-3-sulfonamide (PubChem CID 146571437) has the molecular formula C5H7F2N3O2S and a molecular weight of 211.19 g/mol. Its IUPAC name is 1-(1,1-difluoroethyl)pyrazole-3-sulfonamide.

Molecular Properties

Compound Name1-(1,1-difluoroethyl)pyrazole-3-sulfonamide
PubChem CID146571437
Molecular FormulaC5H7F2N3O2S
Molecular Weight211.19 g/mol
Exact Mass211.02
IUPAC Name1-(1,1-difluoroethyl)pyrazole-3-sulfonamide
SMILESCC(F)(F)n1ccc(S(N)(=O)=O)n1
InChIInChI=1S/C5H7F2N3O2S/c1-5(6,7)10-3-2-4(9-10)13(8,11)12/h2-3H,1H3,(H2,8,11,12)
InChIKeyYCTLJMJGGCSFSB-UHFFFAOYSA-N
XLogP0.10
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1,1-difluoroethyl)pyrazole-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)pyrazole-3-sulfonamide?
The IUPAC name of 1-(1,1-difluoroethyl)pyrazole-3-sulfonamide (CID 146571437) is 1-(1,1-difluoroethyl)pyrazole-3-sulfonamide.
What is the SMILES notation for 1-(1,1-difluoroethyl)pyrazole-3-sulfonamide?
The canonical SMILES for 1-(1,1-difluoroethyl)pyrazole-3-sulfonamide is CC(F)(F)n1ccc(S(N)(=O)=O)n1.
What is the InChIKey of 1-(1,1-difluoroethyl)pyrazole-3-sulfonamide?
The InChIKey is YCTLJMJGGCSFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2N3O2S/c1-5(6,7)10-3-2-4(9-10)13(8,11)12/h2-3H,1H3,(H2,8,11,12).
What are the key properties of 1-(1,1-difluoroethyl)pyrazole-3-sulfonamide?
1-(1,1-difluoroethyl)pyrazole-3-sulfonamide has a molecular weight of 211.19 g/mol, XLogP of 0.10, 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)pyrazole-3-sulfonamide is sourced from PubChem (CID 146571437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).