(3-bromophenyl)methanesulfonyl chloride

C7H6BrClO2S — CID 2761451

IUPAC(3-bromophenyl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1cccc(Br)c1
InChIInChI=1S/C7H6BrClO2S/c8-7-3-1-2-6(4-7)5-12(9,10)11/h1-4H,5H2
InChIKeyVCGKEAIINMDLMC-UHFFFAOYSA-N
MW269.55 g/mol
LogP2.52
Rot. Bonds2

About (3-bromophenyl)methanesulfonyl chloride

(3-bromophenyl)methanesulfonyl chloride (PubChem CID 2761451) has the molecular formula C7H6BrClO2S and a molecular weight of 269.55 g/mol. Its IUPAC name is (3-bromophenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(3-bromophenyl)methanesulfonyl chloride
PubChem CID2761451
Molecular FormulaC7H6BrClO2S
Molecular Weight269.55 g/mol
Exact Mass267.90
IUPAC Name(3-bromophenyl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1cccc(Br)c1
InChIInChI=1S/C7H6BrClO2S/c8-7-3-1-2-6(4-7)5-12(9,10)11/h1-4H,5H2
InChIKeyVCGKEAIINMDLMC-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 (3-bromophenyl)methanesulfonyl chloride?
The IUPAC name of (3-bromophenyl)methanesulfonyl chloride (CID 2761451) is (3-bromophenyl)methanesulfonyl chloride.
What is the SMILES notation for (3-bromophenyl)methanesulfonyl chloride?
The canonical SMILES for (3-bromophenyl)methanesulfonyl chloride is O=S(=O)(Cl)Cc1cccc(Br)c1.
What is the InChIKey of (3-bromophenyl)methanesulfonyl chloride?
The InChIKey is VCGKEAIINMDLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClO2S/c8-7-3-1-2-6(4-7)5-12(9,10)11/h1-4H,5H2.
What are the key properties of (3-bromophenyl)methanesulfonyl chloride?
(3-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 (3-bromophenyl)methanesulfonyl chloride is sourced from PubChem (CID 2761451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).