4-(trifluoromethyl)thiophene-3-sulfonyl chloride

C5H2ClF3O2S2 — CID 130531784

IUPAC4-(trifluoromethyl)thiophene-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cscc1C(F)(F)F
InChIInChI=1S/C5H2ClF3O2S2/c6-13(10,11)4-2-12-1-3(4)5(7,8)9/h1-2H
InChIKeyAVYBGNWGLMTDIC-UHFFFAOYSA-N
MW250.65 g/mol
LogP2.69
Rot. Bonds1

About 4-(trifluoromethyl)thiophene-3-sulfonyl chloride

4-(trifluoromethyl)thiophene-3-sulfonyl chloride (PubChem CID 130531784) has the molecular formula C5H2ClF3O2S2 and a molecular weight of 250.65 g/mol. Its IUPAC name is 4-(trifluoromethyl)thiophene-3-sulfonyl chloride.

Molecular Properties

Compound Name4-(trifluoromethyl)thiophene-3-sulfonyl chloride
PubChem CID130531784
Molecular FormulaC5H2ClF3O2S2
Molecular Weight250.65 g/mol
Exact Mass249.91
IUPAC Name4-(trifluoromethyl)thiophene-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cscc1C(F)(F)F
InChIInChI=1S/C5H2ClF3O2S2/c6-13(10,11)4-2-12-1-3(4)5(7,8)9/h1-2H
InChIKeyAVYBGNWGLMTDIC-UHFFFAOYSA-N
XLogP2.69
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.65
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)thiophene-3-sulfonyl chloride?
The IUPAC name of 4-(trifluoromethyl)thiophene-3-sulfonyl chloride (CID 130531784) is 4-(trifluoromethyl)thiophene-3-sulfonyl chloride.
What is the SMILES notation for 4-(trifluoromethyl)thiophene-3-sulfonyl chloride?
The canonical SMILES for 4-(trifluoromethyl)thiophene-3-sulfonyl chloride is O=S(=O)(Cl)c1cscc1C(F)(F)F.
What is the InChIKey of 4-(trifluoromethyl)thiophene-3-sulfonyl chloride?
The InChIKey is AVYBGNWGLMTDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClF3O2S2/c6-13(10,11)4-2-12-1-3(4)5(7,8)9/h1-2H.
What are the key properties of 4-(trifluoromethyl)thiophene-3-sulfonyl chloride?
4-(trifluoromethyl)thiophene-3-sulfonyl chloride has a molecular weight of 250.65 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)thiophene-3-sulfonyl chloride is sourced from PubChem (CID 130531784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).