4-(4-bromophenyl)benzenesulfonyl chloride

C12H8BrClO2S — CID 2756845

IUPAC4-(4-bromophenyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(-c2ccc(Br)cc2)cc1
InChIInChI=1S/C12H8BrClO2S/c13-11-5-1-9(2-6-11)10-3-7-12(8-4-10)17(14,15)16/h1-8H
InChIKeySSBVDUAYXSMLTR-UHFFFAOYSA-N
MW331.62 g/mol
LogP4.04
Rot. Bonds2

About 4-(4-bromophenyl)benzenesulfonyl chloride

4-(4-bromophenyl)benzenesulfonyl chloride (PubChem CID 2756845) has the molecular formula C12H8BrClO2S and a molecular weight of 331.62 g/mol. Its IUPAC name is 4-(4-bromophenyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-(4-bromophenyl)benzenesulfonyl chloride
PubChem CID2756845
Molecular FormulaC12H8BrClO2S
Molecular Weight331.62 g/mol
Exact Mass329.91
IUPAC Name4-(4-bromophenyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(-c2ccc(Br)cc2)cc1
InChIInChI=1S/C12H8BrClO2S/c13-11-5-1-9(2-6-11)10-3-7-12(8-4-10)17(14,15)16/h1-8H
InChIKeySSBVDUAYXSMLTR-UHFFFAOYSA-N
XLogP4.04
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.62
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)benzenesulfonyl chloride?
The IUPAC name of 4-(4-bromophenyl)benzenesulfonyl chloride (CID 2756845) is 4-(4-bromophenyl)benzenesulfonyl chloride.
What is the SMILES notation for 4-(4-bromophenyl)benzenesulfonyl chloride?
The canonical SMILES for 4-(4-bromophenyl)benzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(-c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-(4-bromophenyl)benzenesulfonyl chloride?
The InChIKey is SSBVDUAYXSMLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClO2S/c13-11-5-1-9(2-6-11)10-3-7-12(8-4-10)17(14,15)16/h1-8H.
What are the key properties of 4-(4-bromophenyl)benzenesulfonyl chloride?
4-(4-bromophenyl)benzenesulfonyl chloride has a molecular weight of 331.62 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)benzenesulfonyl chloride is sourced from PubChem (CID 2756845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).