[4-(benzenesulfonyl)phenyl]-phenylmethanone

C19H14O3S — CID 1040286

IUPAC[4-(benzenesulfonyl)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C19H14O3S/c20-19(15-7-3-1-4-8-15)16-11-13-18(14-12-16)23(21,22)17-9-5-2-6-10-17/h1-14H
InChIKeyGUDWLJYIFVKYMR-UHFFFAOYSA-N
MW322.39 g/mol
LogP3.75
Rot. Bonds4

About [4-(benzenesulfonyl)phenyl]-phenylmethanone

[4-(benzenesulfonyl)phenyl]-phenylmethanone (PubChem CID 1040286) has the molecular formula C19H14O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is [4-(benzenesulfonyl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-(benzenesulfonyl)phenyl]-phenylmethanone
PubChem CID1040286
Molecular FormulaC19H14O3S
Molecular Weight322.39 g/mol
Exact Mass322.07
IUPAC Name[4-(benzenesulfonyl)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C19H14O3S/c20-19(15-7-3-1-4-8-15)16-11-13-18(14-12-16)23(21,22)17-9-5-2-6-10-17/h1-14H
InChIKeyGUDWLJYIFVKYMR-UHFFFAOYSA-N
XLogP3.75
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzoylbenzenesulfonamide
CID 70209200
1-[4-(benzenesulfonyl)phenyl]-2,2-dichloroethanone
CID 3008749
benzenesulfonylbenzene;oxalic acid
CID 67897674
phenyl-[4-(trimethyl-λ4-sulfanyl)phenyl]methanone
CID 126595551
diphenylmethanone
CID 3102
phenyl-[4-(trichloromethylsulfonyl)phenyl]methanone
CID 20582687
[3-[4-[4-(3-benzoylphenoxy)phenyl]sulfonylphenoxy]phenyl]-phenylmethanone
CID 175364339
benzenesulfonylbenzene;1-(benzenesulfonyl)-4-[4-(benzenesulfonyl)phenyl]benzene;(2-benzoylphenyl)-phenylmethanone;[4-(4-benzoylphenyl)phenyl]-phenylmethanone;benzylbenzene;1,1'-biphenyl;1,2-bis(benzenesulfonyl)benzene;diphenylmethanone
CID 160969296
diphenylmethanone;gold
CID 174931146
bis(diphenylmethanone);dihydrochloride
CID 69107757
disodium;diphenylmethanone
CID 19380838
cobalt(2+);diphenylmethanone
CID 19033779

Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)phenyl]-phenylmethanone?
The IUPAC name of [4-(benzenesulfonyl)phenyl]-phenylmethanone (CID 1040286) is [4-(benzenesulfonyl)phenyl]-phenylmethanone.
What is the SMILES notation for [4-(benzenesulfonyl)phenyl]-phenylmethanone?
The canonical SMILES for [4-(benzenesulfonyl)phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccc(S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of [4-(benzenesulfonyl)phenyl]-phenylmethanone?
The InChIKey is GUDWLJYIFVKYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O3S/c20-19(15-7-3-1-4-8-15)16-11-13-18(14-12-16)23(21,22)17-9-5-2-6-10-17/h1-14H.
What are the key properties of [4-(benzenesulfonyl)phenyl]-phenylmethanone?
[4-(benzenesulfonyl)phenyl]-phenylmethanone has a molecular weight of 322.39 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonyl)phenyl]-phenylmethanone is sourced from PubChem (CID 1040286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).