[1-(benzenesulfonamido)-3-oxo-1,3-diphenylpropan-2-yl]-dimethylsulfanium

C23H24NO3S2+ — CID 10788532

IUPAC[1-(benzenesulfonamido)-3-oxo-1,3-diphenylpropan-2-yl]-dimethylsulfanium
SMILESC[S+](C)C(C(=O)c1ccccc1)C(NS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24NO3S2/c1-28(2)23(22(25)19-14-8-4-9-15-19)21(18-12-6-3-7-13-18)24-29(26,27)20-16-10-5-11-17-20/h3-17,21,23-24H,1-2H3/q+1
InChIKeyAPGGKQWTRCMDGE-UHFFFAOYSA-N
MW426.58 g/mol
LogP3.84
Rot. Bonds8

About [1-(benzenesulfonamido)-3-oxo-1,3-diphenylpropan-2-yl]-dimethylsulfanium

[1-(benzenesulfonamido)-3-oxo-1,3-diphenylpropan-2-yl]-dimethylsulfanium (PubChem CID 10788532) has the molecular formula C23H24NO3S2+ and a molecular weight of 426.58 g/mol. Its IUPAC name is [1-(benzenesulfonamido)-3-oxo-1,3-diphenylpropan-2-yl]-dimethylsulfanium.

Molecular Properties

Compound Name[1-(benzenesulfonamido)-3-oxo-1,3-diphenylpropan-2-yl]-dimethylsulfanium
PubChem CID10788532
Molecular FormulaC23H24NO3S2+
Molecular Weight426.58 g/mol
Exact Mass426.12
IUPAC Name[1-(benzenesulfonamido)-3-oxo-1,3-diphenylpropan-2-yl]-dimethylsulfanium
SMILESC[S+](C)C(C(=O)c1ccccc1)C(NS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24NO3S2/c1-28(2)23(22(25)19-14-8-4-9-15-19)21(18-12-6-3-7-13-18)24-29(26,27)20-16-10-5-11-17-20/h3-17,21,23-24H,1-2H3/q+1
InChIKeyAPGGKQWTRCMDGE-UHFFFAOYSA-N
XLogP3.84
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.58
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-2-methyl-1-phenylpropyl]benzenesulfonamide
CID 40522121
benzenesulfonyl-(2-dimethylsulfonio-3-oxo-1,3-diphenylpropyl)azanide
CID 10788531
N-[(1R,2R)-2-bromo-3-oxo-1,3-diphenylpropyl]-4-methylbenzenesulfonamide
CID 102280789
N-(1-oxo-1-phenylpropan-2-yl)benzenesulfonamide
CID 13293562
N-[(1S,2S)-1-(4-fluorophenyl)-3-oxo-2,3-diphenylpropyl]-4-methylbenzenesulfonamide
CID 135064335
N-[(1S,2R)-2-(benzhydrylideneamino)-1,2-diphenylethyl]-4-methylbenzenesulfonamide;N-[(1R,2S)-2-(benzhydrylideneamino)-1,2-diphenylethyl]-4-methylbenzenesulfonamide
CID 139042258
4-[[(1S,2S)-2-amino-1,2-diphenylethyl]sulfamoyl]benzenesulfonic acid
CID 58915462
(4-chlorophenyl)sulfonyl-(2-dimethylsulfonio-3-oxo-1,3-diphenylpropyl)azanide
CID 10671635
ethyl 2-[benzenesulfonamido(phenyl)methyl]but-3-enoate
CID 11279844
(2R,3S)-2-methyl-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 10991221
(2R)-2-(benzenesulfonamido)-2-phenylacetic acid
CID 2062887
N-[(1S,2S)-3-(4-methoxyphenyl)-3-oxo-1,2-diphenylpropyl]-4-methylbenzenesulfonamide
CID 135056806

Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonamido)-3-oxo-1,3-diphenylpropan-2-yl]-dimethylsulfanium?
The IUPAC name of [1-(benzenesulfonamido)-3-oxo-1,3-diphenylpropan-2-yl]-dimethylsulfanium (CID 10788532) is [1-(benzenesulfonamido)-3-oxo-1,3-diphenylpropan-2-yl]-dimethylsulfanium.
What is the SMILES notation for [1-(benzenesulfonamido)-3-oxo-1,3-diphenylpropan-2-yl]-dimethylsulfanium?
The canonical SMILES for [1-(benzenesulfonamido)-3-oxo-1,3-diphenylpropan-2-yl]-dimethylsulfanium is C[S+](C)C(C(=O)c1ccccc1)C(NS(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [1-(benzenesulfonamido)-3-oxo-1,3-diphenylpropan-2-yl]-dimethylsulfanium?
The InChIKey is APGGKQWTRCMDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24NO3S2/c1-28(2)23(22(25)19-14-8-4-9-15-19)21(18-12-6-3-7-13-18)24-29(26,27)20-16-10-5-11-17-20/h3-17,21,23-24H,1-2H3/q+1.
What are the key properties of [1-(benzenesulfonamido)-3-oxo-1,3-diphenylpropan-2-yl]-dimethylsulfanium?
[1-(benzenesulfonamido)-3-oxo-1,3-diphenylpropan-2-yl]-dimethylsulfanium has a molecular weight of 426.58 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonamido)-3-oxo-1,3-diphenylpropan-2-yl]-dimethylsulfanium is sourced from PubChem (CID 10788532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).