1-ethyl-3-(trifluoromethyl)pyrazole-4-sulfonyl chloride

C6H6ClF3N2O2S — CID 50896808

IUPAC1-ethyl-3-(trifluoromethyl)pyrazole-4-sulfonyl chloride
SMILESCCn1cc(S(=O)(=O)Cl)c(C(F)(F)F)n1
InChIInChI=1S/C6H6ClF3N2O2S/c1-2-12-3-4(15(7,13)14)5(11-12)6(8,9)10/h3H,2H2,1H3
InChIKeyFYMRKWVJFUASFG-UHFFFAOYSA-N
MW262.64 g/mol
LogP1.85
Rot. Bonds2

About 1-ethyl-3-(trifluoromethyl)pyrazole-4-sulfonyl chloride

1-ethyl-3-(trifluoromethyl)pyrazole-4-sulfonyl chloride (PubChem CID 50896808) has the molecular formula C6H6ClF3N2O2S and a molecular weight of 262.64 g/mol. Its IUPAC name is 1-ethyl-3-(trifluoromethyl)pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-ethyl-3-(trifluoromethyl)pyrazole-4-sulfonyl chloride
PubChem CID50896808
Molecular FormulaC6H6ClF3N2O2S
Molecular Weight262.64 g/mol
Exact Mass261.98
IUPAC Name1-ethyl-3-(trifluoromethyl)pyrazole-4-sulfonyl chloride
SMILESCCn1cc(S(=O)(=O)Cl)c(C(F)(F)F)n1
InChIInChI=1S/C6H6ClF3N2O2S/c1-2-12-3-4(15(7,13)14)5(11-12)6(8,9)10/h3H,2H2,1H3
InChIKeyFYMRKWVJFUASFG-UHFFFAOYSA-N
XLogP1.85
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.64
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-3-(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

1,3-dimethyl-1H-pyrazole-4-sulfonyl chloride
CID 4635707
1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 13342783
3-Methyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl chloride
CID 19620090
1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfonyl chloride
CID 2794561
1-Ethyl-5-methyl-1H-pyrazole-4-sulfonyl chloride
CID 6485338
1-(difluoromethyl)-3-methyl-1H-pyrazole-4-sulfonyl chloride
CID 6485422
1-Ethyl-3-methyl-1H-pyrazole-4-sulfonyl chloride
CID 17024580
1,5-dimethyl-1H-pyrazole-4-sulfonyl chloride
CID 17024754
3-Methyl-1-(2-methylpropyl)-1H-pyrazole-4-sulfonyl chloride
CID 19576914
3-methyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonamide
CID 66020430
1-methyl-5-(trifluoromethyl)-1H-pyrazole-4-sulfonyl chloride
CID 84031236
5-cyano-1-methyl-1H-pyrazole-4-sulfonyl chloride
CID 162361016

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(trifluoromethyl)pyrazole-4-sulfonyl chloride?
The IUPAC name of 1-ethyl-3-(trifluoromethyl)pyrazole-4-sulfonyl chloride (CID 50896808) is 1-ethyl-3-(trifluoromethyl)pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 1-ethyl-3-(trifluoromethyl)pyrazole-4-sulfonyl chloride?
The canonical SMILES for 1-ethyl-3-(trifluoromethyl)pyrazole-4-sulfonyl chloride is CCn1cc(S(=O)(=O)Cl)c(C(F)(F)F)n1.
What is the InChIKey of 1-ethyl-3-(trifluoromethyl)pyrazole-4-sulfonyl chloride?
The InChIKey is FYMRKWVJFUASFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClF3N2O2S/c1-2-12-3-4(15(7,13)14)5(11-12)6(8,9)10/h3H,2H2,1H3.
What are the key properties of 1-ethyl-3-(trifluoromethyl)pyrazole-4-sulfonyl chloride?
1-ethyl-3-(trifluoromethyl)pyrazole-4-sulfonyl chloride has a molecular weight of 262.64 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(trifluoromethyl)pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 50896808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).