2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonyl chloride

C9H6ClF3N2O2S2 — CID 53212052

IUPAC2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonyl chloride
SMILESCc1sc(-c2cc(C(F)(F)F)[nH]n2)cc1S(=O)(=O)Cl
InChIInChI=1S/C9H6ClF3N2O2S2/c1-4-7(19(10,16)17)3-6(18-4)5-2-8(15-14-5)9(11,12)13/h2-3H,1H3,(H,14,15)
InChIKeyZTYVPQJIYIFDSJ-UHFFFAOYSA-N
MW330.74 g/mol
LogP3.39
Rot. Bonds2

About 2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonyl chloride

2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonyl chloride (PubChem CID 53212052) has the molecular formula C9H6ClF3N2O2S2 and a molecular weight of 330.74 g/mol. Its IUPAC name is 2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonyl chloride.

Molecular Properties

Compound Name2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonyl chloride
PubChem CID53212052
Molecular FormulaC9H6ClF3N2O2S2
Molecular Weight330.74 g/mol
Exact Mass329.95
IUPAC Name2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonyl chloride
SMILESCc1sc(-c2cc(C(F)(F)F)[nH]n2)cc1S(=O)(=O)Cl
InChIInChI=1S/C9H6ClF3N2O2S2/c1-4-7(19(10,16)17)3-6(18-4)5-2-8(15-14-5)9(11,12)13/h2-3H,1H3,(H,14,15)
InChIKeyZTYVPQJIYIFDSJ-UHFFFAOYSA-N
XLogP3.39
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.74
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonyl chloride?
The IUPAC name of 2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonyl chloride (CID 53212052) is 2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonyl chloride.
What is the SMILES notation for 2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonyl chloride?
The canonical SMILES for 2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonyl chloride is Cc1sc(-c2cc(C(F)(F)F)[nH]n2)cc1S(=O)(=O)Cl.
What is the InChIKey of 2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonyl chloride?
The InChIKey is ZTYVPQJIYIFDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF3N2O2S2/c1-4-7(19(10,16)17)3-6(18-4)5-2-8(15-14-5)9(11,12)13/h2-3H,1H3,(H,14,15).
What are the key properties of 2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonyl chloride?
2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonyl chloride has a molecular weight of 330.74 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonyl chloride is sourced from PubChem (CID 53212052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).