4-bromo-2-methoxybenzenesulfonyl chloride

C7H6BrClO3S — CID 18754952

IUPAC4-bromo-2-methoxybenzenesulfonyl chloride
SMILESCOc1cc(Br)ccc1S(=O)(=O)Cl
InChIInChI=1S/C7H6BrClO3S/c1-12-6-4-5(8)2-3-7(6)13(9,10)11/h2-4H,1H3
InChIKeyQPPCLNMOYHCXMS-UHFFFAOYSA-N
MW285.55 g/mol
LogP2.39
Rot. Bonds2

About 4-bromo-2-methoxybenzenesulfonyl chloride

4-bromo-2-methoxybenzenesulfonyl chloride (PubChem CID 18754952) has the molecular formula C7H6BrClO3S and a molecular weight of 285.55 g/mol. Its IUPAC name is 4-bromo-2-methoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name4-bromo-2-methoxybenzenesulfonyl chloride
PubChem CID18754952
Molecular FormulaC7H6BrClO3S
Molecular Weight285.55 g/mol
Exact Mass283.89
IUPAC Name4-bromo-2-methoxybenzenesulfonyl chloride
SMILESCOc1cc(Br)ccc1S(=O)(=O)Cl
InChIInChI=1S/C7H6BrClO3S/c1-12-6-4-5(8)2-3-7(6)13(9,10)11/h2-4H,1H3
InChIKeyQPPCLNMOYHCXMS-UHFFFAOYSA-N
XLogP2.39
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.55
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methoxybenzenesulfonyl chloride?
The IUPAC name of 4-bromo-2-methoxybenzenesulfonyl chloride (CID 18754952) is 4-bromo-2-methoxybenzenesulfonyl chloride.
What is the SMILES notation for 4-bromo-2-methoxybenzenesulfonyl chloride?
The canonical SMILES for 4-bromo-2-methoxybenzenesulfonyl chloride is COc1cc(Br)ccc1S(=O)(=O)Cl.
What is the InChIKey of 4-bromo-2-methoxybenzenesulfonyl chloride?
The InChIKey is QPPCLNMOYHCXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClO3S/c1-12-6-4-5(8)2-3-7(6)13(9,10)11/h2-4H,1H3.
What are the key properties of 4-bromo-2-methoxybenzenesulfonyl chloride?
4-bromo-2-methoxybenzenesulfonyl chloride has a molecular weight of 285.55 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methoxybenzenesulfonyl chloride is sourced from PubChem (CID 18754952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).