N-(2-methylsulfonyl-1,2-diphenylethylidene)hydroxylamine

C15H15NO3S — CID 174925218

IUPACN-(2-methylsulfonyl-1,2-diphenylethylidene)hydroxylamine
SMILESCS(=O)(=O)C(C(=NO)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H15NO3S/c1-20(18,19)15(13-10-6-3-7-11-13)14(16-17)12-8-4-2-5-9-12/h2-11,15,17H,1H3
InChIKeyNTLYJPGFUVWGOA-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.65
Rot. Bonds4

About N-(2-methylsulfonyl-1,2-diphenylethylidene)hydroxylamine

N-(2-methylsulfonyl-1,2-diphenylethylidene)hydroxylamine (PubChem CID 174925218) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-(2-methylsulfonyl-1,2-diphenylethylidene)hydroxylamine.

Molecular Properties

Compound NameN-(2-methylsulfonyl-1,2-diphenylethylidene)hydroxylamine
PubChem CID174925218
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC NameN-(2-methylsulfonyl-1,2-diphenylethylidene)hydroxylamine
SMILESCS(=O)(=O)C(C(=NO)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H15NO3S/c1-20(18,19)15(13-10-6-3-7-11-13)14(16-17)12-8-4-2-5-9-12/h2-11,15,17H,1H3
InChIKeyNTLYJPGFUVWGOA-UHFFFAOYSA-N
XLogP2.65
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

hydroxy-methyl-(2-methylsulfonyl-1,2-diphenylethylidene)-oxo-λ6-sulfane
CID 57219962
[(2Z)-2-hydroxyimino-1,2-diphenylethyl] sulfate
CID 140628952
(NZ)-N-[(2S)-1,2-diphenylpropylidene]hydroxylamine
CID 98569832
(NZ)-N-(2-nitro-1-phenylpropylidene)hydroxylamine
CID 172934456
(NZ)-N-(2,2-difluoro-1-phenylethylidene)hydroxylamine
CID 22769392
2-oxo-1-phenylpropane-1-sulfonamide
CID 70874810
(2S)-2-phenyl-2-sulfamoylacetic acid
CID 124582466
2-hydroxyimino-2-methylsulfonyl-1-phenylethanone
CID 154330181
1-phenylethanesulfonic acid
CID 10997746
1,2-diphenylethane-1,2-diol;methanesulfonic acid
CID 57363902
(2R)-2-phenyl-2-sulfamoylacetamide
CID 124507731
N-[1-(2-fluorophenyl)-2-methylsulfonylpropylidene]hydroxylamine
CID 131849841

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonyl-1,2-diphenylethylidene)hydroxylamine?
The IUPAC name of N-(2-methylsulfonyl-1,2-diphenylethylidene)hydroxylamine (CID 174925218) is N-(2-methylsulfonyl-1,2-diphenylethylidene)hydroxylamine.
What is the SMILES notation for N-(2-methylsulfonyl-1,2-diphenylethylidene)hydroxylamine?
The canonical SMILES for N-(2-methylsulfonyl-1,2-diphenylethylidene)hydroxylamine is CS(=O)(=O)C(C(=NO)c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-methylsulfonyl-1,2-diphenylethylidene)hydroxylamine?
The InChIKey is NTLYJPGFUVWGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-20(18,19)15(13-10-6-3-7-11-13)14(16-17)12-8-4-2-5-9-12/h2-11,15,17H,1H3.
What are the key properties of N-(2-methylsulfonyl-1,2-diphenylethylidene)hydroxylamine?
N-(2-methylsulfonyl-1,2-diphenylethylidene)hydroxylamine has a molecular weight of 289.36 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonyl-1,2-diphenylethylidene)hydroxylamine is sourced from PubChem (CID 174925218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).