[(2Z)-2-hydroxyimino-1,2-diphenylethyl] sulfate

C14H12NO5S- — CID 140628952

IUPAC[(2Z)-2-hydroxyimino-1,2-diphenylethyl] sulfate
SMILESO=S(=O)([O-])OC(/C(=N\O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H13NO5S/c16-15-13(11-7-3-1-4-8-11)14(20-21(17,18)19)12-9-5-2-6-10-12/h1-10,14,16H,(H,17,18,19)/p-1/b15-13-
InChIKeyUCDZUNLBHZBDFP-SQFISAMPSA-M
MW306.32 g/mol
LogP2.08
Rot. Bonds5

About [(2Z)-2-hydroxyimino-1,2-diphenylethyl] sulfate

[(2Z)-2-hydroxyimino-1,2-diphenylethyl] sulfate (PubChem CID 140628952) has the molecular formula C14H12NO5S- and a molecular weight of 306.32 g/mol. Its IUPAC name is [(2Z)-2-hydroxyimino-1,2-diphenylethyl] sulfate.

Molecular Properties

Compound Name[(2Z)-2-hydroxyimino-1,2-diphenylethyl] sulfate
PubChem CID140628952
Molecular FormulaC14H12NO5S-
Molecular Weight306.32 g/mol
Exact Mass306.04
IUPAC Name[(2Z)-2-hydroxyimino-1,2-diphenylethyl] sulfate
SMILESO=S(=O)([O-])OC(/C(=N\O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H13NO5S/c16-15-13(11-7-3-1-4-8-11)14(20-21(17,18)19)12-9-5-2-6-10-12/h1-10,14,16H,(H,17,18,19)/p-1/b15-13-
InChIKeyUCDZUNLBHZBDFP-SQFISAMPSA-M
XLogP2.08
TPSA99.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylsulfonyl-1,2-diphenylethylidene)hydroxylamine
CID 174925218
(NZ)-N-[(2S)-1,2-diphenylpropylidene]hydroxylamine
CID 98569832
benzyl-(4-hydroxyphenyl)-methylsulfanium;(2-oxo-1,2-diphenylethyl) sulfate
CID 161263082
(NZ)-N-(2,2-difluoro-1-phenylethylidene)hydroxylamine
CID 22769392
(NZ)-N-(2-nitro-1-phenylpropylidene)hydroxylamine
CID 172934456
[(2E)-2-(benzenesulfonylhydrazinylidene)-1,2-diphenylethyl] prop-2-enoate
CID 142494385
phenyl 2-methylsulfonyloxy-2-phenylacetate
CID 118035163
2-hydroxyimino-2-methylsulfonyl-1-phenylethanone
CID 154330181
2-phenyl-2-sulfamoyloxyacetic acid
CID 19108711
(2R)-3-hydroxyimino-1-(2-nitrophenyl)-2,3-diphenylpropan-1-one
CID 7158722
(2-amino-2-oxo-1-phenylethyl) methanesulfonate
CID 57276683
bis(2-(2-oxo-1,2-diphenylethoxy)-1,2-diphenylethanone);hydrate
CID 19854989

Frequently Asked Questions

What is the IUPAC name of [(2Z)-2-hydroxyimino-1,2-diphenylethyl] sulfate?
The IUPAC name of [(2Z)-2-hydroxyimino-1,2-diphenylethyl] sulfate (CID 140628952) is [(2Z)-2-hydroxyimino-1,2-diphenylethyl] sulfate.
What is the SMILES notation for [(2Z)-2-hydroxyimino-1,2-diphenylethyl] sulfate?
The canonical SMILES for [(2Z)-2-hydroxyimino-1,2-diphenylethyl] sulfate is O=S(=O)([O-])OC(/C(=N\O)c1ccccc1)c1ccccc1.
What is the InChIKey of [(2Z)-2-hydroxyimino-1,2-diphenylethyl] sulfate?
The InChIKey is UCDZUNLBHZBDFP-SQFISAMPSA-M. The full InChI is InChI=1S/C14H13NO5S/c16-15-13(11-7-3-1-4-8-11)14(20-21(17,18)19)12-9-5-2-6-10-12/h1-10,14,16H,(H,17,18,19)/p-1/b15-13-.
What are the key properties of [(2Z)-2-hydroxyimino-1,2-diphenylethyl] sulfate?
[(2Z)-2-hydroxyimino-1,2-diphenylethyl] sulfate has a molecular weight of 306.32 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-2-hydroxyimino-1,2-diphenylethyl] sulfate is sourced from PubChem (CID 140628952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).