4-bromothiophene-3-sulfonyl chloride

C4H2BrClO2S2 — CID 2794638

IUPAC4-bromothiophene-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cscc1Br
InChIInChI=1S/C4H2BrClO2S2/c5-3-1-9-2-4(3)10(6,7)8/h1-2H
InChIKeyXQOPBRYPDVISQI-UHFFFAOYSA-N
MW261.55 g/mol
LogP2.44
Rot. Bonds1

About 4-bromothiophene-3-sulfonyl chloride

4-bromothiophene-3-sulfonyl chloride (PubChem CID 2794638) has the molecular formula C4H2BrClO2S2 and a molecular weight of 261.55 g/mol. Its IUPAC name is 4-bromothiophene-3-sulfonyl chloride.

Molecular Properties

Compound Name4-bromothiophene-3-sulfonyl chloride
PubChem CID2794638
Molecular FormulaC4H2BrClO2S2
Molecular Weight261.55 g/mol
Exact Mass259.84
IUPAC Name4-bromothiophene-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cscc1Br
InChIInChI=1S/C4H2BrClO2S2/c5-3-1-9-2-4(3)10(6,7)8/h1-2H
InChIKeyXQOPBRYPDVISQI-UHFFFAOYSA-N
XLogP2.44
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.55
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-bromothiophene-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

Related Compounds

4,5-Dibromothiophene-2-sulfonyl chloride
CID 522755
3-Bromothiophene-2-sulfonyl chloride
CID 13675598
3,4-Dibromothiophene-2-sulfonyl chloride
CID 11638680
3,5-Dibromothiophene-2-sulfonyl chloride
CID 12874987
4-Bromothiophene-2-sulfonyl chloride
CID 22485765
5-Bromothiophene-3-sulfonyl chloride
CID 130737016
4-Bromothiophene-2-sulfonylfluoride
CID 82294546
4-Bromothiophene-3-sulfinicacid
CID 137935716
4-Bromothiophene-3-sulfonyl fluoride
CID 137949138
Bromothiophenesulfonic acid
CID 22485768
4-Bromo-2-(methylsulfonyl)thiophene
CID 20222293
4,5-Dibromothiophene-3-sulfonamide
CID 129768935

Frequently Asked Questions

What is the IUPAC name of 4-bromothiophene-3-sulfonyl chloride?
The IUPAC name of 4-bromothiophene-3-sulfonyl chloride (CID 2794638) is 4-bromothiophene-3-sulfonyl chloride.
What is the SMILES notation for 4-bromothiophene-3-sulfonyl chloride?
The canonical SMILES for 4-bromothiophene-3-sulfonyl chloride is O=S(=O)(Cl)c1cscc1Br.
What is the InChIKey of 4-bromothiophene-3-sulfonyl chloride?
The InChIKey is XQOPBRYPDVISQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2BrClO2S2/c5-3-1-9-2-4(3)10(6,7)8/h1-2H.
What are the key properties of 4-bromothiophene-3-sulfonyl chloride?
4-bromothiophene-3-sulfonyl chloride has a molecular weight of 261.55 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromothiophene-3-sulfonyl chloride is sourced from PubChem (CID 2794638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).