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

C9H6ClF3N2O2S2 — CID 18931437

IUPAC3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonyl chloride
SMILESCn1nc(-c2ccsc2S(=O)(=O)Cl)cc1C(F)(F)F
InChIInChI=1S/C9H6ClF3N2O2S2/c1-15-7(9(11,12)13)4-6(14-15)5-2-3-18-8(5)19(10,16)17/h2-4H,1H3
InChIKeyBMTMOQYTUUSCCO-UHFFFAOYSA-N
MW330.74 g/mol
LogP3.09
Rot. Bonds2

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

3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonyl chloride (PubChem CID 18931437) has the molecular formula C9H6ClF3N2O2S2 and a molecular weight of 330.74 g/mol. Its IUPAC name is 3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonyl chloride
PubChem CID18931437
Molecular FormulaC9H6ClF3N2O2S2
Molecular Weight330.74 g/mol
Exact Mass329.95
IUPAC Name3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonyl chloride
SMILESCn1nc(-c2ccsc2S(=O)(=O)Cl)cc1C(F)(F)F
InChIInChI=1S/C9H6ClF3N2O2S2/c1-15-7(9(11,12)13)4-6(14-15)5-2-3-18-8(5)19(10,16)17/h2-4H,1H3
InChIKeyBMTMOQYTUUSCCO-UHFFFAOYSA-N
XLogP3.09
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.74
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonyl chloride?
The IUPAC name of 3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonyl chloride (CID 18931437) is 3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonyl chloride.
What is the SMILES notation for 3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonyl chloride?
The canonical SMILES for 3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonyl chloride is Cn1nc(-c2ccsc2S(=O)(=O)Cl)cc1C(F)(F)F.
What is the InChIKey of 3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonyl chloride?
The InChIKey is BMTMOQYTUUSCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF3N2O2S2/c1-15-7(9(11,12)13)4-6(14-15)5-2-3-18-8(5)19(10,16)17/h2-4H,1H3.
What are the key properties of 3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonyl chloride?
3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonyl chloride has a molecular weight of 330.74 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonyl chloride is sourced from PubChem (CID 18931437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).