methylsulfonylbenzene;naphthalen-1-yl(phenyl)methanone

C24H20O3S — CID 174806443

IUPACmethylsulfonylbenzene;naphthalen-1-yl(phenyl)methanone
SMILESCS(=O)(=O)c1ccccc1.O=C(c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C17H12O.C7H8O2S/c18-17(14-8-2-1-3-9-14)16-12-6-10-13-7-4-5-11-15(13)16;1-10(8,9)7-5-3-2-4-6-7/h1-12H;2-6H,1H3
InChIKeyCQCWVAYRSOXMRD-UHFFFAOYSA-N
MW388.49 g/mol
LogP5.16
Rot. Bonds3

About methylsulfonylbenzene;naphthalen-1-yl(phenyl)methanone

methylsulfonylbenzene;naphthalen-1-yl(phenyl)methanone (PubChem CID 174806443) has the molecular formula C24H20O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is methylsulfonylbenzene;naphthalen-1-yl(phenyl)methanone.

Molecular Properties

Compound Namemethylsulfonylbenzene;naphthalen-1-yl(phenyl)methanone
PubChem CID174806443
Molecular FormulaC24H20O3S
Molecular Weight388.49 g/mol
Exact Mass388.11
IUPAC Namemethylsulfonylbenzene;naphthalen-1-yl(phenyl)methanone
SMILESCS(=O)(=O)c1ccccc1.O=C(c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C17H12O.C7H8O2S/c18-17(14-8-2-1-3-9-14)16-12-6-10-13-7-4-5-11-15(13)16;1-10(8,9)7-5-3-2-4-6-7/h1-12H;2-6H,1H3
InChIKeyCQCWVAYRSOXMRD-UHFFFAOYSA-N
XLogP5.16
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.49
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methane;naphthalen-1-yl(phenyl)methanone;sulfuric acid
CID 70453659
naphthalen-1-yl-(4-phenylphenyl)methanone
CID 23218936
(6-ethylnaphthalen-1-yl)-phenylmethanone
CID 67944513
3-(naphthalene-1-carbonyl)benzoate
CID 6947576
[3-[3,5-bis(naphthalene-1-carbonyl)benzoyl]-5-(naphthalene-1-carbonyl)phenyl]-naphthalen-1-ylmethanone;ethane;methanethiol;propane
CID 143925290
(2-methylphenyl)-naphthalen-1-ylmethanone;phenyl(pyridin-4-yl)methanone
CID 21432102
naphthalen-1-yl-(4-propan-2-ylsulfanylphenyl)methanone
CID 11197546
carbonofluoridic acid;methylsulfonylbenzene
CID 174721962
1,2-dimethylhydrazine;diphenylmethanone;phenanthrene
CID 160628551
(2-methoxyphenyl)-(4-methylsulfonylphenyl)methanone
CID 114962795
(E)-4-hydroxy-3-naphthalen-1-ylpent-3-en-2-one
CID 15967864
tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804

Frequently Asked Questions

What is the IUPAC name of methylsulfonylbenzene;naphthalen-1-yl(phenyl)methanone?
The IUPAC name of methylsulfonylbenzene;naphthalen-1-yl(phenyl)methanone (CID 174806443) is methylsulfonylbenzene;naphthalen-1-yl(phenyl)methanone.
What is the SMILES notation for methylsulfonylbenzene;naphthalen-1-yl(phenyl)methanone?
The canonical SMILES for methylsulfonylbenzene;naphthalen-1-yl(phenyl)methanone is CS(=O)(=O)c1ccccc1.O=C(c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of methylsulfonylbenzene;naphthalen-1-yl(phenyl)methanone?
The InChIKey is CQCWVAYRSOXMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O.C7H8O2S/c18-17(14-8-2-1-3-9-14)16-12-6-10-13-7-4-5-11-15(13)16;1-10(8,9)7-5-3-2-4-6-7/h1-12H;2-6H,1H3.
What are the key properties of methylsulfonylbenzene;naphthalen-1-yl(phenyl)methanone?
methylsulfonylbenzene;naphthalen-1-yl(phenyl)methanone has a molecular weight of 388.49 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfonylbenzene;naphthalen-1-yl(phenyl)methanone is sourced from PubChem (CID 174806443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).