2-(trifluoromethyl)-1-benzothiophene-4-sulfonyl chloride

C9H4ClF3O2S2 — CID 154814451

IUPAC2-(trifluoromethyl)-1-benzothiophene-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc2sc(C(F)(F)F)cc12
InChIInChI=1S/C9H4ClF3O2S2/c10-17(14,15)7-3-1-2-6-5(7)4-8(16-6)9(11,12)13/h1-4H
InChIKeyWWRBVBSAVHDWPL-UHFFFAOYSA-N
MW300.71 g/mol
LogP3.85
Rot. Bonds1

About 2-(trifluoromethyl)-1-benzothiophene-4-sulfonyl chloride

2-(trifluoromethyl)-1-benzothiophene-4-sulfonyl chloride (PubChem CID 154814451) has the molecular formula C9H4ClF3O2S2 and a molecular weight of 300.71 g/mol. Its IUPAC name is 2-(trifluoromethyl)-1-benzothiophene-4-sulfonyl chloride.

Molecular Properties

Compound Name2-(trifluoromethyl)-1-benzothiophene-4-sulfonyl chloride
PubChem CID154814451
Molecular FormulaC9H4ClF3O2S2
Molecular Weight300.71 g/mol
Exact Mass299.93
IUPAC Name2-(trifluoromethyl)-1-benzothiophene-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc2sc(C(F)(F)F)cc12
InChIInChI=1S/C9H4ClF3O2S2/c10-17(14,15)7-3-1-2-6-5(7)4-8(16-6)9(11,12)13/h1-4H
InChIKeyWWRBVBSAVHDWPL-UHFFFAOYSA-N
XLogP3.85
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.71
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-1-benzothiophene-4-sulfonyl chloride?
The IUPAC name of 2-(trifluoromethyl)-1-benzothiophene-4-sulfonyl chloride (CID 154814451) is 2-(trifluoromethyl)-1-benzothiophene-4-sulfonyl chloride.
What is the SMILES notation for 2-(trifluoromethyl)-1-benzothiophene-4-sulfonyl chloride?
The canonical SMILES for 2-(trifluoromethyl)-1-benzothiophene-4-sulfonyl chloride is O=S(=O)(Cl)c1cccc2sc(C(F)(F)F)cc12.
What is the InChIKey of 2-(trifluoromethyl)-1-benzothiophene-4-sulfonyl chloride?
The InChIKey is WWRBVBSAVHDWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClF3O2S2/c10-17(14,15)7-3-1-2-6-5(7)4-8(16-6)9(11,12)13/h1-4H.
What are the key properties of 2-(trifluoromethyl)-1-benzothiophene-4-sulfonyl chloride?
2-(trifluoromethyl)-1-benzothiophene-4-sulfonyl chloride has a molecular weight of 300.71 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-1-benzothiophene-4-sulfonyl chloride is sourced from PubChem (CID 154814451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).