(NE)-N-[1-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylethylidene]hydroxylamine

C15H14ClNO3S — CID 134852362

IUPAC(NE)-N-[1-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylethylidene]hydroxylamine
SMILESCc1ccc(S(=O)(=O)C/C(=N/O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H14ClNO3S/c1-11-2-8-14(9-3-11)21(19,20)10-15(17-18)12-4-6-13(16)7-5-12/h2-9,18H,10H2,1H3/b17-15-
InChIKeyTXFOAAGJNMGNPC-ICFOKQHNSA-N
MW323.80 g/mol
LogP3.30
Rot. Bonds4

About (NE)-N-[1-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylethylidene]hydroxylamine

(NE)-N-[1-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylethylidene]hydroxylamine (PubChem CID 134852362) has the molecular formula C15H14ClNO3S and a molecular weight of 323.80 g/mol. Its IUPAC name is (NE)-N-[1-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylethylidene]hydroxylamine
PubChem CID134852362
Molecular FormulaC15H14ClNO3S
Molecular Weight323.80 g/mol
Exact Mass323.04
IUPAC Name(NE)-N-[1-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylethylidene]hydroxylamine
SMILESCc1ccc(S(=O)(=O)C/C(=N/O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H14ClNO3S/c1-11-2-8-14(9-3-11)21(19,20)10-15(17-18)12-4-6-13(16)7-5-12/h2-9,18H,10H2,1H3/b17-15-
InChIKeyTXFOAAGJNMGNPC-ICFOKQHNSA-N
XLogP3.30
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 53.30
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

(NE)-N-[2-ethylsulfonyl-1-(4-methylphenyl)ethylidene]hydroxylamine
CID 102550852
N'-hydroxy-2-(4-methylphenyl)sulfonylethanimidamide
CID 2794668
2-(4-chlorophenyl)sulfonyl-N'-(4-methylphenyl)sulfonylacetohydrazide
CID 146673637
N-[2-chloro-1-(4-methylphenyl)ethylidene]hydroxylamine
CID 85344533
N-[1-(4-chlorophenyl)propylidene]hydroxylamine
CID 74054167
N-[1-(4-chlorophenyl)ethylidene]-4-methylbenzenesulfonamide
CID 74345526
1-[1-(4-chlorophenyl)ethenylsulfonyl]-4-methylbenzene
CID 138974047
1-(4-methylphenyl)sulfonylpropan-2-ylidenehydrazine
CID 71437493
N-[1-(4-methylphenyl)propylidene]hydroxylamine
CID 7174004
N-[bis(4-methylphenyl)methylideneamino]-4-chlorobenzenesulfonamide
CID 139198570
calcium 2-(4-chlorophenyl)sulfonylacetate
CID 18466443
2-(4-methylphenyl)sulfonylacetyl bromide
CID 71420756

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylethylidene]hydroxylamine (CID 134852362) is (NE)-N-[1-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylethylidene]hydroxylamine is Cc1ccc(S(=O)(=O)C/C(=N/O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of (NE)-N-[1-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylethylidene]hydroxylamine?
The InChIKey is TXFOAAGJNMGNPC-ICFOKQHNSA-N. The full InChI is InChI=1S/C15H14ClNO3S/c1-11-2-8-14(9-3-11)21(19,20)10-15(17-18)12-4-6-13(16)7-5-12/h2-9,18H,10H2,1H3/b17-15-.
What are the key properties of (NE)-N-[1-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylethylidene]hydroxylamine?
(NE)-N-[1-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylethylidene]hydroxylamine has a molecular weight of 323.80 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylethylidene]hydroxylamine is sourced from PubChem (CID 134852362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).