4-bromo-3-ethylbenzenesulfonyl chloride

C8H8BrClO2S — CID 91800297

IUPAC4-bromo-3-ethylbenzenesulfonyl chloride
SMILESCCc1cc(S(=O)(=O)Cl)ccc1Br
InChIInChI=1S/C8H8BrClO2S/c1-2-6-5-7(13(10,11)12)3-4-8(6)9/h3-5H,2H2,1H3
InChIKeyVFVICIOMELGYIH-UHFFFAOYSA-N
MW283.57 g/mol
LogP2.94
Rot. Bonds2

About 4-bromo-3-ethylbenzenesulfonyl chloride

4-bromo-3-ethylbenzenesulfonyl chloride (PubChem CID 91800297) has the molecular formula C8H8BrClO2S and a molecular weight of 283.57 g/mol. Its IUPAC name is 4-bromo-3-ethylbenzenesulfonyl chloride.

Molecular Properties

Compound Name4-bromo-3-ethylbenzenesulfonyl chloride
PubChem CID91800297
Molecular FormulaC8H8BrClO2S
Molecular Weight283.57 g/mol
Exact Mass281.91
IUPAC Name4-bromo-3-ethylbenzenesulfonyl chloride
SMILESCCc1cc(S(=O)(=O)Cl)ccc1Br
InChIInChI=1S/C8H8BrClO2S/c1-2-6-5-7(13(10,11)12)3-4-8(6)9/h3-5H,2H2,1H3
InChIKeyVFVICIOMELGYIH-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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-ethylbenzenesulfonyl chloride?
The IUPAC name of 4-bromo-3-ethylbenzenesulfonyl chloride (CID 91800297) is 4-bromo-3-ethylbenzenesulfonyl chloride.
What is the SMILES notation for 4-bromo-3-ethylbenzenesulfonyl chloride?
The canonical SMILES for 4-bromo-3-ethylbenzenesulfonyl chloride is CCc1cc(S(=O)(=O)Cl)ccc1Br.
What is the InChIKey of 4-bromo-3-ethylbenzenesulfonyl chloride?
The InChIKey is VFVICIOMELGYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClO2S/c1-2-6-5-7(13(10,11)12)3-4-8(6)9/h3-5H,2H2,1H3.
What are the key properties of 4-bromo-3-ethylbenzenesulfonyl chloride?
4-bromo-3-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-3-ethylbenzenesulfonyl chloride is sourced from PubChem (CID 91800297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).