1-phenyl-3-(4-phenylphenyl)sulfonylbenzene

C24H18O2S — CID 44591397

IUPAC1-phenyl-3-(4-phenylphenyl)sulfonylbenzene
SMILESO=S(=O)(c1ccc(-c2ccccc2)cc1)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C24H18O2S/c25-27(26,23-16-14-21(15-17-23)19-8-3-1-4-9-19)24-13-7-12-22(18-24)20-10-5-2-6-11-20/h1-18H
InChIKeyYMLHDSFZHXRJPK-UHFFFAOYSA-N
MW370.47 g/mol
LogP5.85
Rot. Bonds4

About 1-phenyl-3-(4-phenylphenyl)sulfonylbenzene

1-phenyl-3-(4-phenylphenyl)sulfonylbenzene (PubChem CID 44591397) has the molecular formula C24H18O2S and a molecular weight of 370.47 g/mol. Its IUPAC name is 1-phenyl-3-(4-phenylphenyl)sulfonylbenzene.

Molecular Properties

Compound Name1-phenyl-3-(4-phenylphenyl)sulfonylbenzene
PubChem CID44591397
Molecular FormulaC24H18O2S
Molecular Weight370.47 g/mol
Exact Mass370.10
IUPAC Name1-phenyl-3-(4-phenylphenyl)sulfonylbenzene
SMILESO=S(=O)(c1ccc(-c2ccccc2)cc1)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C24H18O2S/c25-27(26,23-16-14-21(15-17-23)19-8-3-1-4-9-19)24-13-7-12-22(18-24)20-10-5-2-6-11-20/h1-18H
InChIKeyYMLHDSFZHXRJPK-UHFFFAOYSA-N
XLogP5.85
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.47
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(4-phenylphenyl)sulfonylbenzene?
The IUPAC name of 1-phenyl-3-(4-phenylphenyl)sulfonylbenzene (CID 44591397) is 1-phenyl-3-(4-phenylphenyl)sulfonylbenzene.
What is the SMILES notation for 1-phenyl-3-(4-phenylphenyl)sulfonylbenzene?
The canonical SMILES for 1-phenyl-3-(4-phenylphenyl)sulfonylbenzene is O=S(=O)(c1ccc(-c2ccccc2)cc1)c1cccc(-c2ccccc2)c1.
What is the InChIKey of 1-phenyl-3-(4-phenylphenyl)sulfonylbenzene?
The InChIKey is YMLHDSFZHXRJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O2S/c25-27(26,23-16-14-21(15-17-23)19-8-3-1-4-9-19)24-13-7-12-22(18-24)20-10-5-2-6-11-20/h1-18H.
What are the key properties of 1-phenyl-3-(4-phenylphenyl)sulfonylbenzene?
1-phenyl-3-(4-phenylphenyl)sulfonylbenzene has a molecular weight of 370.47 g/mol, XLogP of 5.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(4-phenylphenyl)sulfonylbenzene is sourced from PubChem (CID 44591397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).