4-bromo-2-ethylbenzenesulfonyl chloride

C8H8BrClO2S — CID 2737536

IUPAC4-bromo-2-ethylbenzenesulfonyl chloride
SMILESCCc1cc(Br)ccc1S(=O)(=O)Cl
InChIInChI=1S/C8H8BrClO2S/c1-2-6-5-7(9)3-4-8(6)13(10,11)12/h3-5H,2H2,1H3
InChIKeyUOIVESXBURLTPX-UHFFFAOYSA-N
MW283.57 g/mol
LogP2.94
Rot. Bonds2

About 4-bromo-2-ethylbenzenesulfonyl chloride

4-bromo-2-ethylbenzenesulfonyl chloride (PubChem CID 2737536) has the molecular formula C8H8BrClO2S and a molecular weight of 283.57 g/mol. Its IUPAC name is 4-bromo-2-ethylbenzenesulfonyl chloride.

Molecular Properties

Compound Name4-bromo-2-ethylbenzenesulfonyl chloride
PubChem CID2737536
Molecular FormulaC8H8BrClO2S
Molecular Weight283.57 g/mol
Exact Mass281.91
IUPAC Name4-bromo-2-ethylbenzenesulfonyl chloride
SMILESCCc1cc(Br)ccc1S(=O)(=O)Cl
InChIInChI=1S/C8H8BrClO2S/c1-2-6-5-7(9)3-4-8(6)13(10,11)12/h3-5H,2H2,1H3
InChIKeyUOIVESXBURLTPX-UHFFFAOYSA-N
XLogP2.94
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.57
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-bromo-2-ethylbenzenesulfonyl 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-Bromo-1lambda6-benzothiophene-1,1-dione
CID 23261743
4-Bromo-2-methylbenzenethiol
CID 19921798
4-Bromo-3-methylbenzene-1-sulfonyl chloride
CID 2737503
4-Bromo-2-methylbenzenesulfonyl chloride
CID 2781338
4-Bromo-2,5-dimethylbenzene-1-sulfonyl chloride
CID 50876027
4-Bromo-2,6-dimethylbenzenesulfonyl chloride
CID 2737468
4-Bromo-2-(trifluoromethyl)benzenesulfonamide
CID 2778392
4-Bromo-2-(trifluoromethyl)benzenesulfonyl chloride
CID 2778608
5-Bromo-2-methylbenzenesulphonyl chloride
CID 4962163
5-Bromo-2-methylbenzo[b]thiophene-1,1-dioxide
CID 12346297
5-Bromo-2,3-dihydro-1lambda6-benzothiophene-1,1-dione
CID 12352700
2-Bromo-4-methylbenzene-1-sulfonyl chloride
CID 13394535

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethylbenzenesulfonyl chloride?
The IUPAC name of 4-bromo-2-ethylbenzenesulfonyl chloride (CID 2737536) is 4-bromo-2-ethylbenzenesulfonyl chloride.
What is the SMILES notation for 4-bromo-2-ethylbenzenesulfonyl chloride?
The canonical SMILES for 4-bromo-2-ethylbenzenesulfonyl chloride is CCc1cc(Br)ccc1S(=O)(=O)Cl.
What is the InChIKey of 4-bromo-2-ethylbenzenesulfonyl chloride?
The InChIKey is UOIVESXBURLTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClO2S/c1-2-6-5-7(9)3-4-8(6)13(10,11)12/h3-5H,2H2,1H3.
What are the key properties of 4-bromo-2-ethylbenzenesulfonyl chloride?
4-bromo-2-ethylbenzenesulfonyl chloride has a molecular weight of 283.57 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethylbenzenesulfonyl chloride is sourced from PubChem (CID 2737536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).