5-chloro-1-benzothiophene-3-sulfonyl chloride

C8H4Cl2O2S2 — CID 71755554

IUPAC5-chloro-1-benzothiophene-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1csc2ccc(Cl)cc12
InChIInChI=1S/C8H4Cl2O2S2/c9-5-1-2-7-6(3-5)8(4-13-7)14(10,11)12/h1-4H
InChIKeyOCOLHKPAUQGRME-UHFFFAOYSA-N
MW267.16 g/mol
LogP3.48
Rot. Bonds1

About 5-chloro-1-benzothiophene-3-sulfonyl chloride

5-chloro-1-benzothiophene-3-sulfonyl chloride (PubChem CID 71755554) has the molecular formula C8H4Cl2O2S2 and a molecular weight of 267.16 g/mol. Its IUPAC name is 5-chloro-1-benzothiophene-3-sulfonyl chloride.

Molecular Properties

Compound Name5-chloro-1-benzothiophene-3-sulfonyl chloride
PubChem CID71755554
Molecular FormulaC8H4Cl2O2S2
Molecular Weight267.16 g/mol
Exact Mass265.90
IUPAC Name5-chloro-1-benzothiophene-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1csc2ccc(Cl)cc12
InChIInChI=1S/C8H4Cl2O2S2/c9-5-1-2-7-6(3-5)8(4-13-7)14(10,11)12/h1-4H
InChIKeyOCOLHKPAUQGRME-UHFFFAOYSA-N
XLogP3.48
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-chloro-1-benzothiophene-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 5-chloro-1-benzothiophene-3-sulfonyl chloride?
The IUPAC name of 5-chloro-1-benzothiophene-3-sulfonyl chloride (CID 71755554) is 5-chloro-1-benzothiophene-3-sulfonyl chloride.
What is the SMILES notation for 5-chloro-1-benzothiophene-3-sulfonyl chloride?
The canonical SMILES for 5-chloro-1-benzothiophene-3-sulfonyl chloride is O=S(=O)(Cl)c1csc2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-1-benzothiophene-3-sulfonyl chloride?
The InChIKey is OCOLHKPAUQGRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2O2S2/c9-5-1-2-7-6(3-5)8(4-13-7)14(10,11)12/h1-4H.
What are the key properties of 5-chloro-1-benzothiophene-3-sulfonyl chloride?
5-chloro-1-benzothiophene-3-sulfonyl chloride has a molecular weight of 267.16 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-benzothiophene-3-sulfonyl chloride is sourced from PubChem (CID 71755554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).