(NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-[2-(trifluoromethyl)phenyl]sulfanylethylidene]hydroxylamine

C13H8Cl2F3NOS2 — CID 71451841

IUPAC(NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-[2-(trifluoromethyl)phenyl]sulfanylethylidene]hydroxylamine
SMILESO/N=C(\CSc1ccccc1C(F)(F)F)c1cc(Cl)sc1Cl
InChIInChI=1S/C13H8Cl2F3NOS2/c14-11-5-7(12(15)22-11)9(19-20)6-21-10-4-2-1-3-8(10)13(16,17)18/h1-5,20H,6H2/b19-9+
InChIKeyQIOODSYUMOXWNT-DJKKODMXSA-N
MW386.25 g/mol
LogP6.04
Rot. Bonds4

About (NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-[2-(trifluoromethyl)phenyl]sulfanylethylidene]hydroxylamine

(NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-[2-(trifluoromethyl)phenyl]sulfanylethylidene]hydroxylamine (PubChem CID 71451841) has the molecular formula C13H8Cl2F3NOS2 and a molecular weight of 386.25 g/mol. Its IUPAC name is (NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-[2-(trifluoromethyl)phenyl]sulfanylethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-[2-(trifluoromethyl)phenyl]sulfanylethylidene]hydroxylamine
PubChem CID71451841
Molecular FormulaC13H8Cl2F3NOS2
Molecular Weight386.25 g/mol
Exact Mass384.94
IUPAC Name(NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-[2-(trifluoromethyl)phenyl]sulfanylethylidene]hydroxylamine
SMILESO/N=C(\CSc1ccccc1C(F)(F)F)c1cc(Cl)sc1Cl
InChIInChI=1S/C13H8Cl2F3NOS2/c14-11-5-7(12(15)22-11)9(19-20)6-21-10-4-2-1-3-8(10)13(16,17)18/h1-5,20H,6H2/b19-9+
InChIKeyQIOODSYUMOXWNT-DJKKODMXSA-N
XLogP6.04
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.25
LogP ≤ 56.04
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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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-[2-(trifluoromethyl)phenyl]sulfanylethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-[2-(trifluoromethyl)phenyl]sulfanylethylidene]hydroxylamine (CID 71451841) is (NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-[2-(trifluoromethyl)phenyl]sulfanylethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-[2-(trifluoromethyl)phenyl]sulfanylethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-[2-(trifluoromethyl)phenyl]sulfanylethylidene]hydroxylamine is O/N=C(\CSc1ccccc1C(F)(F)F)c1cc(Cl)sc1Cl.
What is the InChIKey of (NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-[2-(trifluoromethyl)phenyl]sulfanylethylidene]hydroxylamine?
The InChIKey is QIOODSYUMOXWNT-DJKKODMXSA-N. The full InChI is InChI=1S/C13H8Cl2F3NOS2/c14-11-5-7(12(15)22-11)9(19-20)6-21-10-4-2-1-3-8(10)13(16,17)18/h1-5,20H,6H2/b19-9+.
What are the key properties of (NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-[2-(trifluoromethyl)phenyl]sulfanylethylidene]hydroxylamine?
(NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-[2-(trifluoromethyl)phenyl]sulfanylethylidene]hydroxylamine has a molecular weight of 386.25 g/mol, XLogP of 6.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-[2-(trifluoromethyl)phenyl]sulfanylethylidene]hydroxylamine is sourced from PubChem (CID 71451841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).