1-(benzenesulfinyl)-4-[4-(benzenesulfonyl)phenyl]benzene

C24H18O3S2 — CID 121486129

IUPAC1-(benzenesulfinyl)-4-[4-(benzenesulfonyl)phenyl]benzene
SMILESO=S(c1ccccc1)c1ccc(-c2ccc(S(=O)(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C24H18O3S2/c25-28(21-7-3-1-4-8-21)22-15-11-19(12-16-22)20-13-17-24(18-14-20)29(26,27)23-9-5-2-6-10-23/h1-18H
InChIKeyWULHKOGQNDFBDY-UHFFFAOYSA-N
MW418.54 g/mol
LogP5.35
Rot. Bonds5

About 1-(benzenesulfinyl)-4-[4-(benzenesulfonyl)phenyl]benzene

1-(benzenesulfinyl)-4-[4-(benzenesulfonyl)phenyl]benzene (PubChem CID 121486129) has the molecular formula C24H18O3S2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 1-(benzenesulfinyl)-4-[4-(benzenesulfonyl)phenyl]benzene.

Molecular Properties

Compound Name1-(benzenesulfinyl)-4-[4-(benzenesulfonyl)phenyl]benzene
PubChem CID121486129
Molecular FormulaC24H18O3S2
Molecular Weight418.54 g/mol
Exact Mass418.07
IUPAC Name1-(benzenesulfinyl)-4-[4-(benzenesulfonyl)phenyl]benzene
SMILESO=S(c1ccccc1)c1ccc(-c2ccc(S(=O)(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C24H18O3S2/c25-28(21-7-3-1-4-8-21)22-15-11-19(12-16-22)20-13-17-24(18-14-20)29(26,27)23-9-5-2-6-10-23/h1-18H
InChIKeyWULHKOGQNDFBDY-UHFFFAOYSA-N
XLogP5.35
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzenesulfinyl)-4-[4-[4-(benzenesulfinyl)phenyl]sulfinylphenyl]sulfinylbenzene
CID 102303456
4-[4-(benzenesulfonyl)phenyl]pyridine
CID 119070513
1-methyl-4-(4-phenylphenyl)sulfonylbenzene
CID 2801718
1-methyl-4-[4-(4-phenylphenyl)sulfonylphenyl]benzene
CID 58526721
bis(4-(4-aminophenyl)aniline);benzenesulfinylbenzene;trihydrate
CID 139145467
1,3,5-tris(benzenesulfonyl)benzene
CID 11027467
benzenesulfonylbenzene;formonitrile
CID 174749173
1-(benzenesulfonyl)-4-methylsulfonylbenzene
CID 13498252
4-(benzenesulfonyl)benzenesulfonyl bromide
CID 22438381
1-(benzenesulfinyl)-4-fluorobenzene
CID 21200956
1,3-bis(benzenesulfonyl)-5-(4-methylphenyl)sulfonylbenzene
CID 147906437
1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 158182934

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfinyl)-4-[4-(benzenesulfonyl)phenyl]benzene?
The IUPAC name of 1-(benzenesulfinyl)-4-[4-(benzenesulfonyl)phenyl]benzene (CID 121486129) is 1-(benzenesulfinyl)-4-[4-(benzenesulfonyl)phenyl]benzene.
What is the SMILES notation for 1-(benzenesulfinyl)-4-[4-(benzenesulfonyl)phenyl]benzene?
The canonical SMILES for 1-(benzenesulfinyl)-4-[4-(benzenesulfonyl)phenyl]benzene is O=S(c1ccccc1)c1ccc(-c2ccc(S(=O)(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of 1-(benzenesulfinyl)-4-[4-(benzenesulfonyl)phenyl]benzene?
The InChIKey is WULHKOGQNDFBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O3S2/c25-28(21-7-3-1-4-8-21)22-15-11-19(12-16-22)20-13-17-24(18-14-20)29(26,27)23-9-5-2-6-10-23/h1-18H.
What are the key properties of 1-(benzenesulfinyl)-4-[4-(benzenesulfonyl)phenyl]benzene?
1-(benzenesulfinyl)-4-[4-(benzenesulfonyl)phenyl]benzene has a molecular weight of 418.54 g/mol, XLogP of 5.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfinyl)-4-[4-(benzenesulfonyl)phenyl]benzene is sourced from PubChem (CID 121486129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).