3-phenylbenzenesulfonyl chloride

C12H9ClO2S — CID 3802752

IUPAC3-phenylbenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C12H9ClO2S/c13-16(14,15)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H
InChIKeyLKSVJXWZVULUDA-UHFFFAOYSA-N
MW252.72 g/mol
LogP3.28
Rot. Bonds2

About 3-phenylbenzenesulfonyl chloride

3-phenylbenzenesulfonyl chloride (PubChem CID 3802752) has the molecular formula C12H9ClO2S and a molecular weight of 252.72 g/mol. Its IUPAC name is 3-phenylbenzenesulfonyl chloride.

Molecular Properties

Compound Name3-phenylbenzenesulfonyl chloride
PubChem CID3802752
Molecular FormulaC12H9ClO2S
Molecular Weight252.72 g/mol
Exact Mass252.00
IUPAC Name3-phenylbenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C12H9ClO2S/c13-16(14,15)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H
InChIKeyLKSVJXWZVULUDA-UHFFFAOYSA-N
XLogP3.28
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.72
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenylbenzenesulfonyl chloride?
The IUPAC name of 3-phenylbenzenesulfonyl chloride (CID 3802752) is 3-phenylbenzenesulfonyl chloride.
What is the SMILES notation for 3-phenylbenzenesulfonyl chloride?
The canonical SMILES for 3-phenylbenzenesulfonyl chloride is O=S(=O)(Cl)c1cccc(-c2ccccc2)c1.
What is the InChIKey of 3-phenylbenzenesulfonyl chloride?
The InChIKey is LKSVJXWZVULUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClO2S/c13-16(14,15)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H.
What are the key properties of 3-phenylbenzenesulfonyl chloride?
3-phenylbenzenesulfonyl chloride has a molecular weight of 252.72 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylbenzenesulfonyl chloride is sourced from PubChem (CID 3802752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).