(NE)-N-[2-(4-chlorophenyl)sulfanyl-1-phenylethylidene]hydroxylamine

C14H12ClNOS — CID 6283022

IUPAC(NE)-N-[2-(4-chlorophenyl)sulfanyl-1-phenylethylidene]hydroxylamine
SMILESO/N=C(/CSc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C14H12ClNOS/c15-12-6-8-13(9-7-12)18-10-14(16-17)11-4-2-1-3-5-11/h1-9,17H,10H2/b16-14-
InChIKeyUCXOPFQTWGQGFY-PEZBUJJGSA-N
MW277.78 g/mol
LogP4.31
Rot. Bonds4

About (NE)-N-[2-(4-chlorophenyl)sulfanyl-1-phenylethylidene]hydroxylamine

(NE)-N-[2-(4-chlorophenyl)sulfanyl-1-phenylethylidene]hydroxylamine (PubChem CID 6283022) has the molecular formula C14H12ClNOS and a molecular weight of 277.78 g/mol. Its IUPAC name is (NE)-N-[2-(4-chlorophenyl)sulfanyl-1-phenylethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[2-(4-chlorophenyl)sulfanyl-1-phenylethylidene]hydroxylamine
PubChem CID6283022
Molecular FormulaC14H12ClNOS
Molecular Weight277.78 g/mol
Exact Mass277.03
IUPAC Name(NE)-N-[2-(4-chlorophenyl)sulfanyl-1-phenylethylidene]hydroxylamine
SMILESO/N=C(/CSc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C14H12ClNOS/c15-12-6-8-13(9-7-12)18-10-14(16-17)11-4-2-1-3-5-11/h1-9,17H,10H2/b16-14-
InChIKeyUCXOPFQTWGQGFY-PEZBUJJGSA-N
XLogP4.31
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1-(4-chlorophenyl)-3-hydroxyimino-3-phenylpropan-1-ol
CID 85437581
(NZ)-N-[2-(4-chlorophenyl)sulfanyl-1-(2,5-dichlorothiophen-3-yl)ethylidene]hydroxylamine
CID 71459026
N-(benzhydrylideneamino)-2-(4-chlorophenyl)sulfanylacetamide
CID 2765790
4,5-bis[(2-hydroxyimino-2-phenylethyl)sulfanyl]-1,3-dithiole-2-thione
CID 5221166
N-[1-(4-chlorophenyl)propylidene]hydroxylamine
CID 74054167
(NZ)-N-(2-chloro-1-phenylethylidene)hydroxylamine
CID 139192653
(NZ)-N-[(3E)-3-hydroxyimino-1,3-diphenylpropylidene]hydroxylamine
CID 6297502
N-[2-(1,3-benzoxazol-2-ylsulfanyl)-1-phenylethylidene]hydroxylamine
CID 592364
N-(4-chlorophenyl)-2-fluoro-1-phenylethanimine
CID 174634496
(NE)-N-[(6E)-1,6-bis(4-chlorophenyl)-6-hydroxyiminohexylidene]hydroxylamine
CID 45126946
(NE)-N-[2-amino-1-(4-chlorophenyl)ethylidene]hydroxylamine
CID 5358741
4-(4-chlorophenyl)sulfanyl-1-phenylbutan-1-one
CID 43413037

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[2-(4-chlorophenyl)sulfanyl-1-phenylethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[2-(4-chlorophenyl)sulfanyl-1-phenylethylidene]hydroxylamine (CID 6283022) is (NE)-N-[2-(4-chlorophenyl)sulfanyl-1-phenylethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[2-(4-chlorophenyl)sulfanyl-1-phenylethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[2-(4-chlorophenyl)sulfanyl-1-phenylethylidene]hydroxylamine is O/N=C(/CSc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of (NE)-N-[2-(4-chlorophenyl)sulfanyl-1-phenylethylidene]hydroxylamine?
The InChIKey is UCXOPFQTWGQGFY-PEZBUJJGSA-N. The full InChI is InChI=1S/C14H12ClNOS/c15-12-6-8-13(9-7-12)18-10-14(16-17)11-4-2-1-3-5-11/h1-9,17H,10H2/b16-14-.
What are the key properties of (NE)-N-[2-(4-chlorophenyl)sulfanyl-1-phenylethylidene]hydroxylamine?
(NE)-N-[2-(4-chlorophenyl)sulfanyl-1-phenylethylidene]hydroxylamine has a molecular weight of 277.78 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[2-(4-chlorophenyl)sulfanyl-1-phenylethylidene]hydroxylamine is sourced from PubChem (CID 6283022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).