1-methyl-4-[4-(4-phenylphenyl)sulfonylphenyl]benzene

C25H20O2S — CID 58526721

IUPAC1-methyl-4-[4-(4-phenylphenyl)sulfonylphenyl]benzene
SMILESCc1ccc(-c2ccc(S(=O)(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C25H20O2S/c1-19-7-9-21(10-8-19)23-13-17-25(18-14-23)28(26,27)24-15-11-22(12-16-24)20-5-3-2-4-6-20/h2-18H,1H3
InChIKeyFNSCHXLNAVDFKC-UHFFFAOYSA-N
MW384.50 g/mol
LogP6.16
Rot. Bonds4

About 1-methyl-4-[4-(4-phenylphenyl)sulfonylphenyl]benzene

1-methyl-4-[4-(4-phenylphenyl)sulfonylphenyl]benzene (PubChem CID 58526721) has the molecular formula C25H20O2S and a molecular weight of 384.50 g/mol. Its IUPAC name is 1-methyl-4-[4-(4-phenylphenyl)sulfonylphenyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[4-(4-phenylphenyl)sulfonylphenyl]benzene
PubChem CID58526721
Molecular FormulaC25H20O2S
Molecular Weight384.50 g/mol
Exact Mass384.12
IUPAC Name1-methyl-4-[4-(4-phenylphenyl)sulfonylphenyl]benzene
SMILESCc1ccc(-c2ccc(S(=O)(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C25H20O2S/c1-19-7-9-21(10-8-19)23-13-17-25(18-14-23)28(26,27)24-15-11-22(12-16-24)20-5-3-2-4-6-20/h2-18H,1H3
InChIKeyFNSCHXLNAVDFKC-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 1-methyl-4-[4-(4-phenylphenyl)sulfonylphenyl]benzene?
The IUPAC name of 1-methyl-4-[4-(4-phenylphenyl)sulfonylphenyl]benzene (CID 58526721) is 1-methyl-4-[4-(4-phenylphenyl)sulfonylphenyl]benzene.
What is the SMILES notation for 1-methyl-4-[4-(4-phenylphenyl)sulfonylphenyl]benzene?
The canonical SMILES for 1-methyl-4-[4-(4-phenylphenyl)sulfonylphenyl]benzene is Cc1ccc(-c2ccc(S(=O)(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 1-methyl-4-[4-(4-phenylphenyl)sulfonylphenyl]benzene?
The InChIKey is FNSCHXLNAVDFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20O2S/c1-19-7-9-21(10-8-19)23-13-17-25(18-14-23)28(26,27)24-15-11-22(12-16-24)20-5-3-2-4-6-20/h2-18H,1H3.
What are the key properties of 1-methyl-4-[4-(4-phenylphenyl)sulfonylphenyl]benzene?
1-methyl-4-[4-(4-phenylphenyl)sulfonylphenyl]benzene 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 1-methyl-4-[4-(4-phenylphenyl)sulfonylphenyl]benzene is sourced from PubChem (CID 58526721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).