5-bromo-2-ethoxybenzenesulfonyl chloride

C8H8BrClO3S — CID 3688333

IUPAC5-bromo-2-ethoxybenzenesulfonyl chloride
SMILESCCOc1ccc(Br)cc1S(=O)(=O)Cl
InChIInChI=1S/C8H8BrClO3S/c1-2-13-7-4-3-6(9)5-8(7)14(10,11)12/h3-5H,2H2,1H3
InChIKeyQVECNSRYIWTUJL-UHFFFAOYSA-N
MW299.57 g/mol
LogP2.78
Rot. Bonds3

About 5-bromo-2-ethoxybenzenesulfonyl chloride

5-bromo-2-ethoxybenzenesulfonyl chloride (PubChem CID 3688333) has the molecular formula C8H8BrClO3S and a molecular weight of 299.57 g/mol. Its IUPAC name is 5-bromo-2-ethoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name5-bromo-2-ethoxybenzenesulfonyl chloride
PubChem CID3688333
Molecular FormulaC8H8BrClO3S
Molecular Weight299.57 g/mol
Exact Mass297.91
IUPAC Name5-bromo-2-ethoxybenzenesulfonyl chloride
SMILESCCOc1ccc(Br)cc1S(=O)(=O)Cl
InChIInChI=1S/C8H8BrClO3S/c1-2-13-7-4-3-6(9)5-8(7)14(10,11)12/h3-5H,2H2,1H3
InChIKeyQVECNSRYIWTUJL-UHFFFAOYSA-N
XLogP2.78
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.57
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethoxybenzenesulfonyl chloride?
The IUPAC name of 5-bromo-2-ethoxybenzenesulfonyl chloride (CID 3688333) is 5-bromo-2-ethoxybenzenesulfonyl chloride.
What is the SMILES notation for 5-bromo-2-ethoxybenzenesulfonyl chloride?
The canonical SMILES for 5-bromo-2-ethoxybenzenesulfonyl chloride is CCOc1ccc(Br)cc1S(=O)(=O)Cl.
What is the InChIKey of 5-bromo-2-ethoxybenzenesulfonyl chloride?
The InChIKey is QVECNSRYIWTUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClO3S/c1-2-13-7-4-3-6(9)5-8(7)14(10,11)12/h3-5H,2H2,1H3.
What are the key properties of 5-bromo-2-ethoxybenzenesulfonyl chloride?
5-bromo-2-ethoxybenzenesulfonyl chloride has a molecular weight of 299.57 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethoxybenzenesulfonyl chloride is sourced from PubChem (CID 3688333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).