benzenesulfonyl-(2-dimethylsulfonio-3-oxo-1,3-diphenylpropyl)azanide

C23H23NO3S2 — CID 10788531

IUPACbenzenesulfonyl-(2-dimethylsulfonio-3-oxo-1,3-diphenylpropyl)azanide
SMILESC[S+](C)C(C(=O)c1ccccc1)C([N-]S(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23NO3S2/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/h3-17,21,23H,1-2H3
InChIKeySYGOYEFFKHNIHV-UHFFFAOYSA-N
MW425.58 g/mol
LogP4.62
Rot. Bonds8

About benzenesulfonyl-(2-dimethylsulfonio-3-oxo-1,3-diphenylpropyl)azanide

benzenesulfonyl-(2-dimethylsulfonio-3-oxo-1,3-diphenylpropyl)azanide (PubChem CID 10788531) has the molecular formula C23H23NO3S2 and a molecular weight of 425.58 g/mol. Its IUPAC name is benzenesulfonyl-(2-dimethylsulfonio-3-oxo-1,3-diphenylpropyl)azanide.

Molecular Properties

Compound Namebenzenesulfonyl-(2-dimethylsulfonio-3-oxo-1,3-diphenylpropyl)azanide
PubChem CID10788531
Molecular FormulaC23H23NO3S2
Molecular Weight425.58 g/mol
Exact Mass425.11
IUPAC Namebenzenesulfonyl-(2-dimethylsulfonio-3-oxo-1,3-diphenylpropyl)azanide
SMILESC[S+](C)C(C(=O)c1ccccc1)C([N-]S(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23NO3S2/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/h3-17,21,23H,1-2H3
InChIKeySYGOYEFFKHNIHV-UHFFFAOYSA-N
XLogP4.62
TPSA65.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.58
LogP ≤ 54.62
H-Bond Donors ≤ 50
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

(4-chlorophenyl)sulfonyl-(2-dimethylsulfonio-3-oxo-1,3-diphenylpropyl)azanide
CID 10671635
[1-(benzenesulfonamido)-3-oxo-1,3-diphenylpropan-2-yl]-dimethylsulfanium
CID 10788532
(4-methylphenyl)sulfonyl-[(1S,2S)-2-(4-methylphenyl)sulfonylazanidyl-1,2-diphenylethyl]azanide;ruthenium(2+);1,3,5-trimethylbenzene
CID 11061623
[(1R,2R)-2-amino-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide;chlororuthenium(2+);1,3,5-trimethylbenzene
CID 155885036
[2-(4-dimethylsulfonio-5-oxo-5-phenylpent-1-en-3-yl)phenyl]-(4-methylphenyl)sulfonylazanide
CID 177487463
[(1R,2R)-2-azanidyl-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide;1,2,3,4,5,6-hexamethylbenzene;ruthenium(2+)
CID 11157905
N-(1-oxo-1-phenylpropan-2-yl)benzenesulfonamide
CID 13293562
4-(1,3-dioxo-1-phenylbutan-2-yl)benzenesulfonamide
CID 141413711
(2-azanidyl-1,2-diphenylethyl)-(4-methylphenyl)sulfonylazanide;1-methyl-4-propan-2-ylbenzene;osmium(2+)
CID 131841386
dimethyl-(2-oxo-1-phenylpropyl)sulfanium
CID 58905989
(2-azanidyl-1,2-diphenylethyl)-(4-fluorophenyl)sulfonylazanide;1-methyl-4-propan-2-ylbenzene;osmium(2+)
CID 131841387
2-hydroxy-1,2-diphenylethanone
CID 159399559

Frequently Asked Questions

What is the IUPAC name of benzenesulfonyl-(2-dimethylsulfonio-3-oxo-1,3-diphenylpropyl)azanide?
The IUPAC name of benzenesulfonyl-(2-dimethylsulfonio-3-oxo-1,3-diphenylpropyl)azanide (CID 10788531) is benzenesulfonyl-(2-dimethylsulfonio-3-oxo-1,3-diphenylpropyl)azanide.
What is the SMILES notation for benzenesulfonyl-(2-dimethylsulfonio-3-oxo-1,3-diphenylpropyl)azanide?
The canonical SMILES for benzenesulfonyl-(2-dimethylsulfonio-3-oxo-1,3-diphenylpropyl)azanide is C[S+](C)C(C(=O)c1ccccc1)C([N-]S(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of benzenesulfonyl-(2-dimethylsulfonio-3-oxo-1,3-diphenylpropyl)azanide?
The InChIKey is SYGOYEFFKHNIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3S2/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/h3-17,21,23H,1-2H3.
What are the key properties of benzenesulfonyl-(2-dimethylsulfonio-3-oxo-1,3-diphenylpropyl)azanide?
benzenesulfonyl-(2-dimethylsulfonio-3-oxo-1,3-diphenylpropyl)azanide has a molecular weight of 425.58 g/mol, XLogP of 4.62, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzenesulfonyl-(2-dimethylsulfonio-3-oxo-1,3-diphenylpropyl)azanide is sourced from PubChem (CID 10788531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).