4-bromobenzenesulfonyl chloride

C6H4BrClO2S — CID 7396

IUPAC4-bromobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Br)cc1
InChIInChI=1S/C6H4BrClO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H
InChIKeyKMMHZIBWCXYAAH-UHFFFAOYSA-N
MW255.52 g/mol
LogP2.38
Rot. Bonds1

About 4-bromobenzenesulfonyl chloride

4-bromobenzenesulfonyl chloride (PubChem CID 7396) has the molecular formula C6H4BrClO2S and a molecular weight of 255.52 g/mol. Its IUPAC name is 4-bromobenzenesulfonyl chloride.

Molecular Properties

Compound Name4-bromobenzenesulfonyl chloride
PubChem CID7396
Molecular FormulaC6H4BrClO2S
Molecular Weight255.52 g/mol
Exact Mass253.88
IUPAC Name4-bromobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Br)cc1
InChIInChI=1S/C6H4BrClO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H
InChIKeyKMMHZIBWCXYAAH-UHFFFAOYSA-N
XLogP2.38
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.52
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromobenzenesulfonyl chloride?
The IUPAC name of 4-bromobenzenesulfonyl chloride (CID 7396) is 4-bromobenzenesulfonyl chloride.
What is the SMILES notation for 4-bromobenzenesulfonyl chloride?
The canonical SMILES for 4-bromobenzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(Br)cc1.
What is the InChIKey of 4-bromobenzenesulfonyl chloride?
The InChIKey is KMMHZIBWCXYAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrClO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H.
What are the key properties of 4-bromobenzenesulfonyl chloride?
4-bromobenzenesulfonyl chloride has a molecular weight of 255.52 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromobenzenesulfonyl chloride is sourced from PubChem (CID 7396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).