1-(benzenesulfonyl)-2-[2-(benzenesulfonyl)phenyl]benzene

C24H18O4S2 — CID 19980732

IUPAC1-(benzenesulfonyl)-2-[2-(benzenesulfonyl)phenyl]benzene
SMILESO=S(=O)(c1ccccc1)c1ccccc1-c1ccccc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H18O4S2/c25-29(26,19-11-3-1-4-12-19)23-17-9-7-15-21(23)22-16-8-10-18-24(22)30(27,28)20-13-5-2-6-14-20/h1-18H
InChIKeyLIKNYOAYSLZWCT-UHFFFAOYSA-N
MW434.54 g/mol
LogP5.02
Rot. Bonds5

About 1-(benzenesulfonyl)-2-[2-(benzenesulfonyl)phenyl]benzene

1-(benzenesulfonyl)-2-[2-(benzenesulfonyl)phenyl]benzene (PubChem CID 19980732) has the molecular formula C24H18O4S2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-[2-(benzenesulfonyl)phenyl]benzene.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-[2-(benzenesulfonyl)phenyl]benzene
PubChem CID19980732
Molecular FormulaC24H18O4S2
Molecular Weight434.54 g/mol
Exact Mass434.06
IUPAC Name1-(benzenesulfonyl)-2-[2-(benzenesulfonyl)phenyl]benzene
SMILESO=S(=O)(c1ccccc1)c1ccccc1-c1ccccc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H18O4S2/c25-29(26,19-11-3-1-4-12-19)23-17-9-7-15-21(23)22-16-8-10-18-24(22)30(27,28)20-13-5-2-6-14-20/h1-18H
InChIKeyLIKNYOAYSLZWCT-UHFFFAOYSA-N
XLogP5.02
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-[2-(benzenesulfonyl)phenyl]benzene?
The IUPAC name of 1-(benzenesulfonyl)-2-[2-(benzenesulfonyl)phenyl]benzene (CID 19980732) is 1-(benzenesulfonyl)-2-[2-(benzenesulfonyl)phenyl]benzene.
What is the SMILES notation for 1-(benzenesulfonyl)-2-[2-(benzenesulfonyl)phenyl]benzene?
The canonical SMILES for 1-(benzenesulfonyl)-2-[2-(benzenesulfonyl)phenyl]benzene is O=S(=O)(c1ccccc1)c1ccccc1-c1ccccc1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-2-[2-(benzenesulfonyl)phenyl]benzene?
The InChIKey is LIKNYOAYSLZWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O4S2/c25-29(26,19-11-3-1-4-12-19)23-17-9-7-15-21(23)22-16-8-10-18-24(22)30(27,28)20-13-5-2-6-14-20/h1-18H.
What are the key properties of 1-(benzenesulfonyl)-2-[2-(benzenesulfonyl)phenyl]benzene?
1-(benzenesulfonyl)-2-[2-(benzenesulfonyl)phenyl]benzene has a molecular weight of 434.54 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-[2-(benzenesulfonyl)phenyl]benzene is sourced from PubChem (CID 19980732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).