(1E)-1-hydroxyimino-N,N-dimethyl-1-phenylmethanesulfonamide

C9H12N2O3S — CID 24977574

IUPAC(1E)-1-hydroxyimino-N,N-dimethyl-1-phenylmethanesulfonamide
SMILESCN(C)S(=O)(=O)/C(=N/O)c1ccccc1
InChIInChI=1S/C9H12N2O3S/c1-11(2)15(13,14)9(10-12)8-6-4-3-5-7-8/h3-7,12H,1-2H3/b10-9+
InChIKeyJNQMJJLQKGSEKI-MDZDMXLPSA-N
MW228.27 g/mol
LogP0.71
Rot. Bonds2

About (1E)-1-hydroxyimino-N,N-dimethyl-1-phenylmethanesulfonamide

(1E)-1-hydroxyimino-N,N-dimethyl-1-phenylmethanesulfonamide (PubChem CID 24977574) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is (1E)-1-hydroxyimino-N,N-dimethyl-1-phenylmethanesulfonamide.

Molecular Properties

Compound Name(1E)-1-hydroxyimino-N,N-dimethyl-1-phenylmethanesulfonamide
PubChem CID24977574
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Name(1E)-1-hydroxyimino-N,N-dimethyl-1-phenylmethanesulfonamide
SMILESCN(C)S(=O)(=O)/C(=N/O)c1ccccc1
InChIInChI=1S/C9H12N2O3S/c1-11(2)15(13,14)9(10-12)8-6-4-3-5-7-8/h3-7,12H,1-2H3/b10-9+
InChIKeyJNQMJJLQKGSEKI-MDZDMXLPSA-N
XLogP0.71
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

2-hydroxyimino-2-methylsulfonyl-1-phenylethanone
CID 154330181
N-(2-methylsulfonyl-1,2-diphenylethylidene)hydroxylamine
CID 174925218
2-[[methylsulfonyl(phenyl)methylidene]amino]phenol
CID 23333943
benzoyl(sulfo)sulfamic acid
CID 54081519
N-[(2Z)-2-hydroxyimino-2-phenylethyl]-N-methylbenzamide
CID 5384608
N-(2-amino-2-hydroxyiminoethyl)-N-methylbenzamide
CID 76928946
1,2-dichloro-N-ethyl-N-methyl-2-phenylethenesulfonamide
CID 126827046
4-(benzamidocarbamoyl)-N,N-dimethylbenzenesulfonamide
CID 3304166
acetic acid;N-hydroxybenzenecarboximidoyl chloride
CID 158315171
N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide
CID 76932856
lithium 1-phenylethanone
CID 22269591
N-methyl-N-[methyl(nitroso)carbamoyl]benzamide
CID 86035240

Frequently Asked Questions

What is the IUPAC name of (1E)-1-hydroxyimino-N,N-dimethyl-1-phenylmethanesulfonamide?
The IUPAC name of (1E)-1-hydroxyimino-N,N-dimethyl-1-phenylmethanesulfonamide (CID 24977574) is (1E)-1-hydroxyimino-N,N-dimethyl-1-phenylmethanesulfonamide.
What is the SMILES notation for (1E)-1-hydroxyimino-N,N-dimethyl-1-phenylmethanesulfonamide?
The canonical SMILES for (1E)-1-hydroxyimino-N,N-dimethyl-1-phenylmethanesulfonamide is CN(C)S(=O)(=O)/C(=N/O)c1ccccc1.
What is the InChIKey of (1E)-1-hydroxyimino-N,N-dimethyl-1-phenylmethanesulfonamide?
The InChIKey is JNQMJJLQKGSEKI-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-11(2)15(13,14)9(10-12)8-6-4-3-5-7-8/h3-7,12H,1-2H3/b10-9+.
What are the key properties of (1E)-1-hydroxyimino-N,N-dimethyl-1-phenylmethanesulfonamide?
(1E)-1-hydroxyimino-N,N-dimethyl-1-phenylmethanesulfonamide has a molecular weight of 228.27 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-hydroxyimino-N,N-dimethyl-1-phenylmethanesulfonamide is sourced from PubChem (CID 24977574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).