4,5-dichlorothiophene-2-sulfonyl chloride

C4HCl3O2S2 — CID 518622

IUPAC4,5-dichlorothiophene-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Cl)c(Cl)s1
InChIInChI=1S/C4HCl3O2S2/c5-2-1-3(10-4(2)6)11(7,8)9/h1H
InChIKeyIVTWLTRKVRJPNG-UHFFFAOYSA-N
MW251.54 g/mol
LogP2.98
Rot. Bonds1

About 4,5-dichlorothiophene-2-sulfonyl chloride

4,5-dichlorothiophene-2-sulfonyl chloride (PubChem CID 518622) has the molecular formula C4HCl3O2S2 and a molecular weight of 251.54 g/mol. Its IUPAC name is 4,5-dichlorothiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name4,5-dichlorothiophene-2-sulfonyl chloride
PubChem CID518622
Molecular FormulaC4HCl3O2S2
Molecular Weight251.54 g/mol
Exact Mass249.85
IUPAC Name4,5-dichlorothiophene-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Cl)c(Cl)s1
InChIInChI=1S/C4HCl3O2S2/c5-2-1-3(10-4(2)6)11(7,8)9/h1H
InChIKeyIVTWLTRKVRJPNG-UHFFFAOYSA-N
XLogP2.98
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.54
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,5-dichlorothiophene-2-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

Related Compounds

5-Chlorothiophene-2-Sulfonamide
CID 1241301
3-Thiophenesulfonamide, 2,5-dichloro-
CID 2799888
Thiophene, 2,3,5-trichloro-
CID 123374
5-Chlorothiophene-2-sulfonyl chloride
CID 2733925
2,5-Dichlorothiophene-3-sulfonyl chloride
CID 2736094
4,5-Dichlorothiophene-2-sulfonamide
CID 3722094
3-Chlorothiophene-2-sulfonyl chloride
CID 54346504
3-Bromo-5-chlorothiophene-2-sulfonyl chloride
CID 2737400
4-Bromo-5-chlorothiophene-2-sulfonyl chloride
CID 2797220
5-Chloro-4-methylthiophene-2-sulfonyl chloride
CID 20649081
2-Chloro-5-methanesulfonylthiophene
CID 21340881
2-Chlorothiophene-3-sulfonyl chloride
CID 21666744

Frequently Asked Questions

What is the IUPAC name of 4,5-dichlorothiophene-2-sulfonyl chloride?
The IUPAC name of 4,5-dichlorothiophene-2-sulfonyl chloride (CID 518622) is 4,5-dichlorothiophene-2-sulfonyl chloride.
What is the SMILES notation for 4,5-dichlorothiophene-2-sulfonyl chloride?
The canonical SMILES for 4,5-dichlorothiophene-2-sulfonyl chloride is O=S(=O)(Cl)c1cc(Cl)c(Cl)s1.
What is the InChIKey of 4,5-dichlorothiophene-2-sulfonyl chloride?
The InChIKey is IVTWLTRKVRJPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HCl3O2S2/c5-2-1-3(10-4(2)6)11(7,8)9/h1H.
What are the key properties of 4,5-dichlorothiophene-2-sulfonyl chloride?
4,5-dichlorothiophene-2-sulfonyl chloride has a molecular weight of 251.54 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichlorothiophene-2-sulfonyl chloride is sourced from PubChem (CID 518622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).