(NZ)-N-[2-(4-chlorophenyl)sulfanyl-1-(2,5-dichlorothiophen-3-yl)ethylidene]hydroxylamine

C12H8Cl3NOS2 — CID 71459026

IUPAC(NZ)-N-[2-(4-chlorophenyl)sulfanyl-1-(2,5-dichlorothiophen-3-yl)ethylidene]hydroxylamine
SMILESO/N=C(\CSc1ccc(Cl)cc1)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H8Cl3NOS2/c13-7-1-3-8(4-2-7)18-6-10(16-17)9-5-11(14)19-12(9)15/h1-5,17H,6H2/b16-10+
InChIKeyOHAVFLXUFMEEAN-MHWRWJLKSA-N
MW352.70 g/mol
LogP5.68
Rot. Bonds4

About (NZ)-N-[2-(4-chlorophenyl)sulfanyl-1-(2,5-dichlorothiophen-3-yl)ethylidene]hydroxylamine

(NZ)-N-[2-(4-chlorophenyl)sulfanyl-1-(2,5-dichlorothiophen-3-yl)ethylidene]hydroxylamine (PubChem CID 71459026) has the molecular formula C12H8Cl3NOS2 and a molecular weight of 352.70 g/mol. Its IUPAC name is (NZ)-N-[2-(4-chlorophenyl)sulfanyl-1-(2,5-dichlorothiophen-3-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[2-(4-chlorophenyl)sulfanyl-1-(2,5-dichlorothiophen-3-yl)ethylidene]hydroxylamine
PubChem CID71459026
Molecular FormulaC12H8Cl3NOS2
Molecular Weight352.70 g/mol
Exact Mass350.91
IUPAC Name(NZ)-N-[2-(4-chlorophenyl)sulfanyl-1-(2,5-dichlorothiophen-3-yl)ethylidene]hydroxylamine
SMILESO/N=C(\CSc1ccc(Cl)cc1)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H8Cl3NOS2/c13-7-1-3-8(4-2-7)18-6-10(16-17)9-5-11(14)19-12(9)15/h1-5,17H,6H2/b16-10+
InChIKeyOHAVFLXUFMEEAN-MHWRWJLKSA-N
XLogP5.68
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.70
LogP ≤ 55.68
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'}

Analyze (NZ)-N-[2-(4-chlorophenyl)sulfanyl-1-(2,5-dichlorothiophen-3-yl)ethylidene]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

(NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-(4-methylphenyl)sulfanylethylidene]hydroxylamine
CID 71459025
(NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-[2-(trifluoromethyl)phenyl]sulfanylethylidene]hydroxylamine
CID 71451841
(NE)-N-[2-(4-chlorophenyl)sulfanyl-1-phenylethylidene]hydroxylamine
CID 6283022
N'-amino-2-(4-chlorophenyl)sulfanylethanimidamide
CID 66144390
1-(2,5-dichlorothiophen-3-yl)-2-pyridin-2-ylsulfanylethanone
CID 2805500
2,5-dichloro-N-[4-[[[2-(4-chlorophenyl)sulfanylacetyl]amino]carbamoyl]phenyl]thiophene-3-sulfonamide
CID 4847454
N-[1-(4-chlorophenyl)propylidene]hydroxylamine
CID 74054167
1-(1-benzofuran-3-yl)-2-(4-chlorophenyl)sulfanylethanone
CID 43802131
1-(2,5-dichlorothiophen-3-yl)-2-(4-methylsulfanylphenoxy)ethanone
CID 60652315
1-(2,4-dichlorophenyl)-2-(4-fluorophenyl)sulfanylethanone
CID 43411730
2-(4-chlorophenyl)sulfanyl-N-(3,5-dichloro-4-hydroxyphenyl)acetamide
CID 1026425
1-(2,5-dichlorothiophen-3-yl)-2-(2-methoxyethylsulfanyl)ethanone
CID 43801651

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[2-(4-chlorophenyl)sulfanyl-1-(2,5-dichlorothiophen-3-yl)ethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[2-(4-chlorophenyl)sulfanyl-1-(2,5-dichlorothiophen-3-yl)ethylidene]hydroxylamine (CID 71459026) is (NZ)-N-[2-(4-chlorophenyl)sulfanyl-1-(2,5-dichlorothiophen-3-yl)ethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[2-(4-chlorophenyl)sulfanyl-1-(2,5-dichlorothiophen-3-yl)ethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[2-(4-chlorophenyl)sulfanyl-1-(2,5-dichlorothiophen-3-yl)ethylidene]hydroxylamine is O/N=C(\CSc1ccc(Cl)cc1)c1cc(Cl)sc1Cl.
What is the InChIKey of (NZ)-N-[2-(4-chlorophenyl)sulfanyl-1-(2,5-dichlorothiophen-3-yl)ethylidene]hydroxylamine?
The InChIKey is OHAVFLXUFMEEAN-MHWRWJLKSA-N. The full InChI is InChI=1S/C12H8Cl3NOS2/c13-7-1-3-8(4-2-7)18-6-10(16-17)9-5-11(14)19-12(9)15/h1-5,17H,6H2/b16-10+.
What are the key properties of (NZ)-N-[2-(4-chlorophenyl)sulfanyl-1-(2,5-dichlorothiophen-3-yl)ethylidene]hydroxylamine?
(NZ)-N-[2-(4-chlorophenyl)sulfanyl-1-(2,5-dichlorothiophen-3-yl)ethylidene]hydroxylamine has a molecular weight of 352.70 g/mol, XLogP of 5.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[2-(4-chlorophenyl)sulfanyl-1-(2,5-dichlorothiophen-3-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 71459026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).