1-(benzenesulfonyl)-3-chlorobenzene

C12H9ClO2S — CID 640919

IUPAC1-(benzenesulfonyl)-3-chlorobenzene
SMILESO=S(=O)(c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C12H9ClO2S/c13-10-5-4-8-12(9-10)16(14,15)11-6-2-1-3-7-11/h1-9H
InChIKeyOGCCIODETQYYLM-UHFFFAOYSA-N
MW252.72 g/mol
LogP3.17
Rot. Bonds2

About 1-(benzenesulfonyl)-3-chlorobenzene

1-(benzenesulfonyl)-3-chlorobenzene (PubChem CID 640919) has the molecular formula C12H9ClO2S and a molecular weight of 252.72 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-chlorobenzene.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-chlorobenzene
PubChem CID640919
Molecular FormulaC12H9ClO2S
Molecular Weight252.72 g/mol
Exact Mass252.00
IUPAC Name1-(benzenesulfonyl)-3-chlorobenzene
SMILESO=S(=O)(c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C12H9ClO2S/c13-10-5-4-8-12(9-10)16(14,15)11-6-2-1-3-7-11/h1-9H
InChIKeyOGCCIODETQYYLM-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(benzenesulfonyl)-3-chlorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-chlorobenzene?
The IUPAC name of 1-(benzenesulfonyl)-3-chlorobenzene (CID 640919) is 1-(benzenesulfonyl)-3-chlorobenzene.
What is the SMILES notation for 1-(benzenesulfonyl)-3-chlorobenzene?
The canonical SMILES for 1-(benzenesulfonyl)-3-chlorobenzene is O=S(=O)(c1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of 1-(benzenesulfonyl)-3-chlorobenzene?
The InChIKey is OGCCIODETQYYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClO2S/c13-10-5-4-8-12(9-10)16(14,15)11-6-2-1-3-7-11/h1-9H.
What are the key properties of 1-(benzenesulfonyl)-3-chlorobenzene?
1-(benzenesulfonyl)-3-chlorobenzene has a molecular weight of 252.72 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-chlorobenzene is sourced from PubChem (CID 640919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).