1-(trifluoromethyl)pyrazole-4-sulfonyl chloride

C4H2ClF3N2O2S — CID 141202299

IUPAC1-(trifluoromethyl)pyrazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnn(C(F)(F)F)c1
InChIInChI=1S/C4H2ClF3N2O2S/c5-13(11,12)3-1-9-10(2-3)4(6,7)8/h1-2H
InChIKeyYJUPDUAJHYRGDC-UHFFFAOYSA-N
MW234.59 g/mol
LogP1.29
Rot. Bonds1

About 1-(trifluoromethyl)pyrazole-4-sulfonyl chloride

1-(trifluoromethyl)pyrazole-4-sulfonyl chloride (PubChem CID 141202299) has the molecular formula C4H2ClF3N2O2S and a molecular weight of 234.59 g/mol. Its IUPAC name is 1-(trifluoromethyl)pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-(trifluoromethyl)pyrazole-4-sulfonyl chloride
PubChem CID141202299
Molecular FormulaC4H2ClF3N2O2S
Molecular Weight234.59 g/mol
Exact Mass233.95
IUPAC Name1-(trifluoromethyl)pyrazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnn(C(F)(F)F)c1
InChIInChI=1S/C4H2ClF3N2O2S/c5-13(11,12)3-1-9-10(2-3)4(6,7)8/h1-2H
InChIKeyYJUPDUAJHYRGDC-UHFFFAOYSA-N
XLogP1.29
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.59
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(trifluoromethyl)pyrazole-4-sulfonyl chloride with MolForge

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

Launch Full Analysis

Related Compounds

1-Methyl-1H-pyrazole-4-sulfonamide
CID 13342789
1-ethyl-1H-pyrazole-4-sulfonyl chloride
CID 6485337
1-methyl-1H-pyrazole-4-sulfonyl chloride
CID 17024730
1-ethyl-1H-pyrazole-4-sulfonamide
CID 17262698
1-Propyl-1H-pyrazole-4-sulfonyl chloride
CID 19576718
1-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonyl chloride
CID 19622855
1-(2,2-difluoroethyl)-1H-pyrazole-4-sulfonyl chloride
CID 19622857
1-(propan-2-yl)-1H-pyrazole-4-sulfonyl chloride
CID 54595051
4-methanesulfonyl-1-methyl-1H-pyrazole
CID 57587962
sodium 1-methyl-1H-pyrazole-4-sulfinate
CID 57744901
1-(cyclopropylmethyl)-1H-pyrazole-4-sulfonyl chloride
CID 60911764
1H-Pyrazole-3-sulfonyl chloride, 1-(2,2,2-trifluoroethyl)-
CID 66509474

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)pyrazole-4-sulfonyl chloride?
The IUPAC name of 1-(trifluoromethyl)pyrazole-4-sulfonyl chloride (CID 141202299) is 1-(trifluoromethyl)pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 1-(trifluoromethyl)pyrazole-4-sulfonyl chloride?
The canonical SMILES for 1-(trifluoromethyl)pyrazole-4-sulfonyl chloride is O=S(=O)(Cl)c1cnn(C(F)(F)F)c1.
What is the InChIKey of 1-(trifluoromethyl)pyrazole-4-sulfonyl chloride?
The InChIKey is YJUPDUAJHYRGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2ClF3N2O2S/c5-13(11,12)3-1-9-10(2-3)4(6,7)8/h1-2H.
What are the key properties of 1-(trifluoromethyl)pyrazole-4-sulfonyl chloride?
1-(trifluoromethyl)pyrazole-4-sulfonyl chloride has a molecular weight of 234.59 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 141202299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).