1-(4-methoxyphenyl)sulfonyl-4-phenylbenzene

C19H16O3S — CID 680106

IUPAC1-(4-methoxyphenyl)sulfonyl-4-phenylbenzene
SMILESCOc1ccc(S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C19H16O3S/c1-22-17-9-13-19(14-10-17)23(20,21)18-11-7-16(8-12-18)15-5-3-2-4-6-15/h2-14H,1H3
InChIKeyWTWXIOPOGRTSCU-UHFFFAOYSA-N
MW324.40 g/mol
LogP4.20
Rot. Bonds4

About 1-(4-methoxyphenyl)sulfonyl-4-phenylbenzene

1-(4-methoxyphenyl)sulfonyl-4-phenylbenzene (PubChem CID 680106) has the molecular formula C19H16O3S and a molecular weight of 324.40 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-4-phenylbenzene.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-4-phenylbenzene
PubChem CID680106
Molecular FormulaC19H16O3S
Molecular Weight324.40 g/mol
Exact Mass324.08
IUPAC Name1-(4-methoxyphenyl)sulfonyl-4-phenylbenzene
SMILESCOc1ccc(S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C19H16O3S/c1-22-17-9-13-19(14-10-17)23(20,21)18-11-7-16(8-12-18)15-5-3-2-4-6-15/h2-14H,1H3
InChIKeyWTWXIOPOGRTSCU-UHFFFAOYSA-N
XLogP4.20
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-methoxyphenyl)sulfonyl-4-phenylbenzene 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-(4-methoxyphenyl)sulfonyl-4-phenylbenzene?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-4-phenylbenzene (CID 680106) is 1-(4-methoxyphenyl)sulfonyl-4-phenylbenzene.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-4-phenylbenzene?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-4-phenylbenzene is COc1ccc(S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-4-phenylbenzene?
The InChIKey is WTWXIOPOGRTSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O3S/c1-22-17-9-13-19(14-10-17)23(20,21)18-11-7-16(8-12-18)15-5-3-2-4-6-15/h2-14H,1H3.
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-4-phenylbenzene?
1-(4-methoxyphenyl)sulfonyl-4-phenylbenzene has a molecular weight of 324.40 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-4-phenylbenzene is sourced from PubChem (CID 680106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).