1-(benzenesulfonyl)-2-methylbenzene

C13H12O2S — CID 616013

IUPAC1-(benzenesulfonyl)-2-methylbenzene
SMILESCc1ccccc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H12O2S/c1-11-7-5-6-10-13(11)16(14,15)12-8-3-2-4-9-12/h2-10H,1H3
InChIKeyUJHQTIAOYSYPHZ-UHFFFAOYSA-N
MW232.30 g/mol
LogP2.83
Rot. Bonds2

About 1-(benzenesulfonyl)-2-methylbenzene

1-(benzenesulfonyl)-2-methylbenzene (PubChem CID 616013) has the molecular formula C13H12O2S and a molecular weight of 232.30 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-methylbenzene.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-methylbenzene
PubChem CID616013
Molecular FormulaC13H12O2S
Molecular Weight232.30 g/mol
Exact Mass232.06
IUPAC Name1-(benzenesulfonyl)-2-methylbenzene
SMILESCc1ccccc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H12O2S/c1-11-7-5-6-10-13(11)16(14,15)12-8-3-2-4-9-12/h2-10H,1H3
InChIKeyUJHQTIAOYSYPHZ-UHFFFAOYSA-N
XLogP2.83
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(benzenesulfonyl)-2-methylbenzene 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)-2-methylbenzene?
The IUPAC name of 1-(benzenesulfonyl)-2-methylbenzene (CID 616013) is 1-(benzenesulfonyl)-2-methylbenzene.
What is the SMILES notation for 1-(benzenesulfonyl)-2-methylbenzene?
The canonical SMILES for 1-(benzenesulfonyl)-2-methylbenzene is Cc1ccccc1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-2-methylbenzene?
The InChIKey is UJHQTIAOYSYPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2S/c1-11-7-5-6-10-13(11)16(14,15)12-8-3-2-4-9-12/h2-10H,1H3.
What are the key properties of 1-(benzenesulfonyl)-2-methylbenzene?
1-(benzenesulfonyl)-2-methylbenzene has a molecular weight of 232.30 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-methylbenzene is sourced from PubChem (CID 616013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).