(NZ)-N-[(2-chloro-5-phenylthiophen-3-yl)methylidene]hydroxylamine

C11H8ClNOS — CID 6102931

IUPAC(NZ)-N-[(2-chloro-5-phenylthiophen-3-yl)methylidene]hydroxylamine
SMILESO/N=C\c1cc(-c2ccccc2)sc1Cl
InChIInChI=1S/C11H8ClNOS/c12-11-9(7-13-14)6-10(15-11)8-4-2-1-3-5-8/h1-7,14H/b13-7-
InChIKeyWOZYNUAJMWPORF-QPEQYQDCSA-N
MW237.71 g/mol
LogP3.88
Rot. Bonds2

About (NZ)-N-[(2-chloro-5-phenylthiophen-3-yl)methylidene]hydroxylamine

(NZ)-N-[(2-chloro-5-phenylthiophen-3-yl)methylidene]hydroxylamine (PubChem CID 6102931) has the molecular formula C11H8ClNOS and a molecular weight of 237.71 g/mol. Its IUPAC name is (NZ)-N-[(2-chloro-5-phenylthiophen-3-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(2-chloro-5-phenylthiophen-3-yl)methylidene]hydroxylamine
PubChem CID6102931
Molecular FormulaC11H8ClNOS
Molecular Weight237.71 g/mol
Exact Mass237.00
IUPAC Name(NZ)-N-[(2-chloro-5-phenylthiophen-3-yl)methylidene]hydroxylamine
SMILESO/N=C\c1cc(-c2ccccc2)sc1Cl
InChIInChI=1S/C11H8ClNOS/c12-11-9(7-13-14)6-10(15-11)8-4-2-1-3-5-8/h1-7,14H/b13-7-
InChIKeyWOZYNUAJMWPORF-QPEQYQDCSA-N
XLogP3.88
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.71
LogP ≤ 53.88
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'}

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(2-chloro-5-phenylthiophen-3-yl)methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(2-chloro-5-phenylthiophen-3-yl)methylidene]hydroxylamine (CID 6102931) is (NZ)-N-[(2-chloro-5-phenylthiophen-3-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(2-chloro-5-phenylthiophen-3-yl)methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(2-chloro-5-phenylthiophen-3-yl)methylidene]hydroxylamine is O/N=C\c1cc(-c2ccccc2)sc1Cl.
What is the InChIKey of (NZ)-N-[(2-chloro-5-phenylthiophen-3-yl)methylidene]hydroxylamine?
The InChIKey is WOZYNUAJMWPORF-QPEQYQDCSA-N. The full InChI is InChI=1S/C11H8ClNOS/c12-11-9(7-13-14)6-10(15-11)8-4-2-1-3-5-8/h1-7,14H/b13-7-.
What are the key properties of (NZ)-N-[(2-chloro-5-phenylthiophen-3-yl)methylidene]hydroxylamine?
(NZ)-N-[(2-chloro-5-phenylthiophen-3-yl)methylidene]hydroxylamine has a molecular weight of 237.71 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(2-chloro-5-phenylthiophen-3-yl)methylidene]hydroxylamine is sourced from PubChem (CID 6102931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).