(NE)-N-[(2,6-dichlorophenyl)-(4-methylphenyl)sulfonylmethylidene]hydroxylamine

C14H11Cl2NO3S — CID 19861966

IUPAC(NE)-N-[(2,6-dichlorophenyl)-(4-methylphenyl)sulfonylmethylidene]hydroxylamine
SMILESCc1ccc(S(=O)(=O)/C(=N/O)c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C14H11Cl2NO3S/c1-9-5-7-10(8-6-9)21(19,20)14(17-18)13-11(15)3-2-4-12(13)16/h2-8,18H,1H3/b17-14+
InChIKeyAXVSVLIATGHHHK-SAPNQHFASA-N
MW344.22 g/mol
LogP3.91
Rot. Bonds2

About (NE)-N-[(2,6-dichlorophenyl)-(4-methylphenyl)sulfonylmethylidene]hydroxylamine

(NE)-N-[(2,6-dichlorophenyl)-(4-methylphenyl)sulfonylmethylidene]hydroxylamine (PubChem CID 19861966) has the molecular formula C14H11Cl2NO3S and a molecular weight of 344.22 g/mol. Its IUPAC name is (NE)-N-[(2,6-dichlorophenyl)-(4-methylphenyl)sulfonylmethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2,6-dichlorophenyl)-(4-methylphenyl)sulfonylmethylidene]hydroxylamine
PubChem CID19861966
Molecular FormulaC14H11Cl2NO3S
Molecular Weight344.22 g/mol
Exact Mass342.98
IUPAC Name(NE)-N-[(2,6-dichlorophenyl)-(4-methylphenyl)sulfonylmethylidene]hydroxylamine
SMILESCc1ccc(S(=O)(=O)/C(=N/O)c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C14H11Cl2NO3S/c1-9-5-7-10(8-6-9)21(19,20)14(17-18)13-11(15)3-2-4-12(13)16/h2-8,18H,1H3/b17-14+
InChIKeyAXVSVLIATGHHHK-SAPNQHFASA-N
XLogP3.91
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 53.91
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'}

Analyze (NE)-N-[(2,6-dichlorophenyl)-(4-methylphenyl)sulfonylmethylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(E)-[(2,6-dichlorophenyl)-(4-methylphenyl)sulfonylmethylidene]amino] N-(4-methylphenyl)sulfonylcarbamate
CID 19742783
(4-methylphenyl) (1E)-2,6-dichloro-N-hydroxybenzenecarboximidothioate
CID 88663870
(4-methylphenyl) 2,6-dichloro-N-hydroxybenzenecarboximidothioate
CID 154508247
(4-methylphenyl)sulfonylformyl chloride
CID 12530344
N-(2,6-dichlorophenyl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide
CID 14611924
bis-(4-methylphenyl)sulfonylmethylidenehydrazine
CID 154263261
methanol;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 157486771
3-(2-chloro-6-fluorophenyl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile
CID 734953
1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088
N-(2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide
CID 19256835
2,3-dichloro-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide
CID 8500668

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2,6-dichlorophenyl)-(4-methylphenyl)sulfonylmethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2,6-dichlorophenyl)-(4-methylphenyl)sulfonylmethylidene]hydroxylamine (CID 19861966) is (NE)-N-[(2,6-dichlorophenyl)-(4-methylphenyl)sulfonylmethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2,6-dichlorophenyl)-(4-methylphenyl)sulfonylmethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2,6-dichlorophenyl)-(4-methylphenyl)sulfonylmethylidene]hydroxylamine is Cc1ccc(S(=O)(=O)/C(=N/O)c2c(Cl)cccc2Cl)cc1.
What is the InChIKey of (NE)-N-[(2,6-dichlorophenyl)-(4-methylphenyl)sulfonylmethylidene]hydroxylamine?
The InChIKey is AXVSVLIATGHHHK-SAPNQHFASA-N. The full InChI is InChI=1S/C14H11Cl2NO3S/c1-9-5-7-10(8-6-9)21(19,20)14(17-18)13-11(15)3-2-4-12(13)16/h2-8,18H,1H3/b17-14+.
What are the key properties of (NE)-N-[(2,6-dichlorophenyl)-(4-methylphenyl)sulfonylmethylidene]hydroxylamine?
(NE)-N-[(2,6-dichlorophenyl)-(4-methylphenyl)sulfonylmethylidene]hydroxylamine has a molecular weight of 344.22 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2,6-dichlorophenyl)-(4-methylphenyl)sulfonylmethylidene]hydroxylamine is sourced from PubChem (CID 19861966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).