1-(benzenesulfonyl)-2-methoxybenzene

C13H12O3S — CID 640912

IUPAC1-(benzenesulfonyl)-2-methoxybenzene
SMILESCOc1ccccc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H12O3S/c1-16-12-9-5-6-10-13(12)17(14,15)11-7-3-2-4-8-11/h2-10H,1H3
InChIKeySQIYLIOQZJPFEL-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.53
Rot. Bonds3

About 1-(benzenesulfonyl)-2-methoxybenzene

1-(benzenesulfonyl)-2-methoxybenzene (PubChem CID 640912) has the molecular formula C13H12O3S and a molecular weight of 248.30 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-methoxybenzene.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-methoxybenzene
PubChem CID640912
Molecular FormulaC13H12O3S
Molecular Weight248.30 g/mol
Exact Mass248.05
IUPAC Name1-(benzenesulfonyl)-2-methoxybenzene
SMILESCOc1ccccc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H12O3S/c1-16-12-9-5-6-10-13(12)17(14,15)11-7-3-2-4-8-11/h2-10H,1H3
InChIKeySQIYLIOQZJPFEL-UHFFFAOYSA-N
XLogP2.53
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(benzenesulfonyl)-2-methoxybenzene 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-methoxybenzene?
The IUPAC name of 1-(benzenesulfonyl)-2-methoxybenzene (CID 640912) is 1-(benzenesulfonyl)-2-methoxybenzene.
What is the SMILES notation for 1-(benzenesulfonyl)-2-methoxybenzene?
The canonical SMILES for 1-(benzenesulfonyl)-2-methoxybenzene is COc1ccccc1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-2-methoxybenzene?
The InChIKey is SQIYLIOQZJPFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3S/c1-16-12-9-5-6-10-13(12)17(14,15)11-7-3-2-4-8-11/h2-10H,1H3.
What are the key properties of 1-(benzenesulfonyl)-2-methoxybenzene?
1-(benzenesulfonyl)-2-methoxybenzene has a molecular weight of 248.30 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-methoxybenzene is sourced from PubChem (CID 640912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).