diphenylphosphanyl-(2-methylsulfonylphenyl)methanone

C20H17O3PS — CID 12576801

IUPACdiphenylphosphanyl-(2-methylsulfonylphenyl)methanone
SMILESCS(=O)(=O)c1ccccc1C(=O)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17O3PS/c1-25(22,23)19-15-9-8-14-18(19)20(21)24(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-15H,1H3
InChIKeyREZFMPMAFAFVDN-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.36
Rot. Bonds5

About diphenylphosphanyl-(2-methylsulfonylphenyl)methanone

diphenylphosphanyl-(2-methylsulfonylphenyl)methanone (PubChem CID 12576801) has the molecular formula C20H17O3PS and a molecular weight of 368.39 g/mol. Its IUPAC name is diphenylphosphanyl-(2-methylsulfonylphenyl)methanone.

Molecular Properties

Compound Namediphenylphosphanyl-(2-methylsulfonylphenyl)methanone
PubChem CID12576801
Molecular FormulaC20H17O3PS
Molecular Weight368.39 g/mol
Exact Mass368.06
IUPAC Namediphenylphosphanyl-(2-methylsulfonylphenyl)methanone
SMILESCS(=O)(=O)c1ccccc1C(=O)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17O3PS/c1-25(22,23)19-15-9-8-14-18(19)20(21)24(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-15H,1H3
InChIKeyREZFMPMAFAFVDN-UHFFFAOYSA-N
XLogP3.36
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-2-methylsulfonylbenzamide
CID 20613410
diphenylphosphanyl(naphthalen-1-yl)methanone
CID 132942254
fluoro 2-methylsulfonylbenzoate
CID 118224514
diphenylphosphanyl-(2-nitrophenyl)methanone
CID 23414453
N-(3,3-diphenylpropyl)-2-methylsulfonylbenzamide
CID 24761812
[4-(2-methylsulfonylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 31305883
2-methylbenzene-1,3-dicarboxylic acid;2-methylbenzenesulfonic acid
CID 174517253
(2R)-4-methyl-2-[(2-methylsulfonylbenzoyl)amino]pentanoic acid
CID 41119776
N-(4-acetamidophenyl)-2-methylsulfonylbenzamide
CID 8701377
2-(diphenylphosphanylmethyl)benzenesulfonic acid
CID 59163444
[(2S)-1-oxo-1-phenylpropan-2-yl] 2-methylsulfonylbenzoate
CID 39939300
2-methylsulfonyl-N-pentan-3-ylbenzamide
CID 16625808

Frequently Asked Questions

What is the IUPAC name of diphenylphosphanyl-(2-methylsulfonylphenyl)methanone?
The IUPAC name of diphenylphosphanyl-(2-methylsulfonylphenyl)methanone (CID 12576801) is diphenylphosphanyl-(2-methylsulfonylphenyl)methanone.
What is the SMILES notation for diphenylphosphanyl-(2-methylsulfonylphenyl)methanone?
The canonical SMILES for diphenylphosphanyl-(2-methylsulfonylphenyl)methanone is CS(=O)(=O)c1ccccc1C(=O)P(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenylphosphanyl-(2-methylsulfonylphenyl)methanone?
The InChIKey is REZFMPMAFAFVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17O3PS/c1-25(22,23)19-15-9-8-14-18(19)20(21)24(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-15H,1H3.
What are the key properties of diphenylphosphanyl-(2-methylsulfonylphenyl)methanone?
diphenylphosphanyl-(2-methylsulfonylphenyl)methanone has a molecular weight of 368.39 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylphosphanyl-(2-methylsulfonylphenyl)methanone is sourced from PubChem (CID 12576801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).