(2-bromophenyl)methanesulfonyl chloride

C7H6BrClO2S — CID 2761452

IUPAC(2-bromophenyl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1ccccc1Br
InChIInChI=1S/C7H6BrClO2S/c8-7-4-2-1-3-6(7)5-12(9,10)11/h1-4H,5H2
InChIKeyRDRCWHIGMBAULL-UHFFFAOYSA-N
MW269.55 g/mol
LogP2.52
Rot. Bonds2

About (2-bromophenyl)methanesulfonyl chloride

(2-bromophenyl)methanesulfonyl chloride (PubChem CID 2761452) has the molecular formula C7H6BrClO2S and a molecular weight of 269.55 g/mol. Its IUPAC name is (2-bromophenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(2-bromophenyl)methanesulfonyl chloride
PubChem CID2761452
Molecular FormulaC7H6BrClO2S
Molecular Weight269.55 g/mol
Exact Mass267.90
IUPAC Name(2-bromophenyl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1ccccc1Br
InChIInChI=1S/C7H6BrClO2S/c8-7-4-2-1-3-6(7)5-12(9,10)11/h1-4H,5H2
InChIKeyRDRCWHIGMBAULL-UHFFFAOYSA-N
XLogP2.52
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.55
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)methanesulfonyl chloride?
The IUPAC name of (2-bromophenyl)methanesulfonyl chloride (CID 2761452) is (2-bromophenyl)methanesulfonyl chloride.
What is the SMILES notation for (2-bromophenyl)methanesulfonyl chloride?
The canonical SMILES for (2-bromophenyl)methanesulfonyl chloride is O=S(=O)(Cl)Cc1ccccc1Br.
What is the InChIKey of (2-bromophenyl)methanesulfonyl chloride?
The InChIKey is RDRCWHIGMBAULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClO2S/c8-7-4-2-1-3-6(7)5-12(9,10)11/h1-4H,5H2.
What are the key properties of (2-bromophenyl)methanesulfonyl chloride?
(2-bromophenyl)methanesulfonyl chloride has a molecular weight of 269.55 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)methanesulfonyl chloride is sourced from PubChem (CID 2761452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).