2-(4-methylphenyl)sulfonyl-1,4-diphenylbenzene

C25H20O2S — CID 102599502

IUPAC2-(4-methylphenyl)sulfonyl-1,4-diphenylbenzene
SMILESCc1ccc(S(=O)(=O)c2cc(-c3ccccc3)ccc2-c2ccccc2)cc1
InChIInChI=1S/C25H20O2S/c1-19-12-15-23(16-13-19)28(26,27)25-18-22(20-8-4-2-5-9-20)14-17-24(25)21-10-6-3-7-11-21/h2-18H,1H3
InChIKeyYRHQONRLVYPDBP-UHFFFAOYSA-N
MW384.50 g/mol
LogP6.16
Rot. Bonds4

About 2-(4-methylphenyl)sulfonyl-1,4-diphenylbenzene

2-(4-methylphenyl)sulfonyl-1,4-diphenylbenzene (PubChem CID 102599502) has the molecular formula C25H20O2S and a molecular weight of 384.50 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfonyl-1,4-diphenylbenzene.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfonyl-1,4-diphenylbenzene
PubChem CID102599502
Molecular FormulaC25H20O2S
Molecular Weight384.50 g/mol
Exact Mass384.12
IUPAC Name2-(4-methylphenyl)sulfonyl-1,4-diphenylbenzene
SMILESCc1ccc(S(=O)(=O)c2cc(-c3ccccc3)ccc2-c2ccccc2)cc1
InChIInChI=1S/C25H20O2S/c1-19-12-15-23(16-13-19)28(26,27)25-18-22(20-8-4-2-5-9-20)14-17-24(25)21-10-6-3-7-11-21/h2-18H,1H3
InChIKeyYRHQONRLVYPDBP-UHFFFAOYSA-N
XLogP6.16
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.50
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfonyl-1,4-diphenylbenzene?
The IUPAC name of 2-(4-methylphenyl)sulfonyl-1,4-diphenylbenzene (CID 102599502) is 2-(4-methylphenyl)sulfonyl-1,4-diphenylbenzene.
What is the SMILES notation for 2-(4-methylphenyl)sulfonyl-1,4-diphenylbenzene?
The canonical SMILES for 2-(4-methylphenyl)sulfonyl-1,4-diphenylbenzene is Cc1ccc(S(=O)(=O)c2cc(-c3ccccc3)ccc2-c2ccccc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfonyl-1,4-diphenylbenzene?
The InChIKey is YRHQONRLVYPDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20O2S/c1-19-12-15-23(16-13-19)28(26,27)25-18-22(20-8-4-2-5-9-20)14-17-24(25)21-10-6-3-7-11-21/h2-18H,1H3.
What are the key properties of 2-(4-methylphenyl)sulfonyl-1,4-diphenylbenzene?
2-(4-methylphenyl)sulfonyl-1,4-diphenylbenzene has a molecular weight of 384.50 g/mol, XLogP of 6.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfonyl-1,4-diphenylbenzene is sourced from PubChem (CID 102599502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).