(NZ)-N-[(2Z)-2,4,5,5-tetrachloro-3-phenylsulfanylpenta-2,4-dienylidene]hydroxylamine

C11H7Cl4NOS — CID 135053267

IUPAC(NZ)-N-[(2Z)-2,4,5,5-tetrachloro-3-phenylsulfanylpenta-2,4-dienylidene]hydroxylamine
SMILESO/N=C\C(Cl)=C(\Sc1ccccc1)C(Cl)=C(Cl)Cl
InChIInChI=1S/C11H7Cl4NOS/c12-8(6-16-17)10(9(13)11(14)15)18-7-4-2-1-3-5-7/h1-6,17H/b10-8-,16-6-
InChIKeyUWYSVJYNWPNNOM-QVPNEAHOSA-N
MW343.06 g/mol
LogP5.57
Rot. Bonds4

About (NZ)-N-[(2Z)-2,4,5,5-tetrachloro-3-phenylsulfanylpenta-2,4-dienylidene]hydroxylamine

(NZ)-N-[(2Z)-2,4,5,5-tetrachloro-3-phenylsulfanylpenta-2,4-dienylidene]hydroxylamine (PubChem CID 135053267) has the molecular formula C11H7Cl4NOS and a molecular weight of 343.06 g/mol. Its IUPAC name is (NZ)-N-[(2Z)-2,4,5,5-tetrachloro-3-phenylsulfanylpenta-2,4-dienylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(2Z)-2,4,5,5-tetrachloro-3-phenylsulfanylpenta-2,4-dienylidene]hydroxylamine
PubChem CID135053267
Molecular FormulaC11H7Cl4NOS
Molecular Weight343.06 g/mol
Exact Mass340.90
IUPAC Name(NZ)-N-[(2Z)-2,4,5,5-tetrachloro-3-phenylsulfanylpenta-2,4-dienylidene]hydroxylamine
SMILESO/N=C\C(Cl)=C(\Sc1ccccc1)C(Cl)=C(Cl)Cl
InChIInChI=1S/C11H7Cl4NOS/c12-8(6-16-17)10(9(13)11(14)15)18-7-4-2-1-3-5-7/h1-6,17H/b10-8-,16-6-
InChIKeyUWYSVJYNWPNNOM-QVPNEAHOSA-N
XLogP5.57
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.06
LogP ≤ 55.57
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(2Z)-2,4,5,5-tetrachloro-3-phenylsulfanylpenta-2,4-dienylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(2Z)-2,4,5,5-tetrachloro-3-phenylsulfanylpenta-2,4-dienylidene]hydroxylamine (CID 135053267) is (NZ)-N-[(2Z)-2,4,5,5-tetrachloro-3-phenylsulfanylpenta-2,4-dienylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(2Z)-2,4,5,5-tetrachloro-3-phenylsulfanylpenta-2,4-dienylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(2Z)-2,4,5,5-tetrachloro-3-phenylsulfanylpenta-2,4-dienylidene]hydroxylamine is O/N=C\C(Cl)=C(\Sc1ccccc1)C(Cl)=C(Cl)Cl.
What is the InChIKey of (NZ)-N-[(2Z)-2,4,5,5-tetrachloro-3-phenylsulfanylpenta-2,4-dienylidene]hydroxylamine?
The InChIKey is UWYSVJYNWPNNOM-QVPNEAHOSA-N. The full InChI is InChI=1S/C11H7Cl4NOS/c12-8(6-16-17)10(9(13)11(14)15)18-7-4-2-1-3-5-7/h1-6,17H/b10-8-,16-6-.
What are the key properties of (NZ)-N-[(2Z)-2,4,5,5-tetrachloro-3-phenylsulfanylpenta-2,4-dienylidene]hydroxylamine?
(NZ)-N-[(2Z)-2,4,5,5-tetrachloro-3-phenylsulfanylpenta-2,4-dienylidene]hydroxylamine has a molecular weight of 343.06 g/mol, XLogP of 5.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(2Z)-2,4,5,5-tetrachloro-3-phenylsulfanylpenta-2,4-dienylidene]hydroxylamine is sourced from PubChem (CID 135053267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).