(NE)-N-[(2-amino-5-chlorophenyl)-thiophen-2-ylmethylidene]hydroxylamine

C11H9ClN2OS — CID 119090697

IUPAC(NE)-N-[(2-amino-5-chlorophenyl)-thiophen-2-ylmethylidene]hydroxylamine
SMILESNc1ccc(Cl)cc1/C(=N\O)c1cccs1
InChIInChI=1S/C11H9ClN2OS/c12-7-3-4-9(13)8(6-7)11(14-15)10-2-1-5-16-10/h1-6,15H,13H2/b14-11+
InChIKeyFTWLZELLWWXOKU-SDNWHVSQSA-N
MW252.73 g/mol
LogP3.21
Rot. Bonds2

About (NE)-N-[(2-amino-5-chlorophenyl)-thiophen-2-ylmethylidene]hydroxylamine

(NE)-N-[(2-amino-5-chlorophenyl)-thiophen-2-ylmethylidene]hydroxylamine (PubChem CID 119090697) has the molecular formula C11H9ClN2OS and a molecular weight of 252.73 g/mol. Its IUPAC name is (NE)-N-[(2-amino-5-chlorophenyl)-thiophen-2-ylmethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2-amino-5-chlorophenyl)-thiophen-2-ylmethylidene]hydroxylamine
PubChem CID119090697
Molecular FormulaC11H9ClN2OS
Molecular Weight252.73 g/mol
Exact Mass252.01
IUPAC Name(NE)-N-[(2-amino-5-chlorophenyl)-thiophen-2-ylmethylidene]hydroxylamine
SMILESNc1ccc(Cl)cc1/C(=N\O)c1cccs1
InChIInChI=1S/C11H9ClN2OS/c12-7-3-4-9(13)8(6-7)11(14-15)10-2-1-5-16-10/h1-6,15H,13H2/b14-11+
InChIKeyFTWLZELLWWXOKU-SDNWHVSQSA-N
XLogP3.21
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.73
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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 (NE)-N-[(2-amino-5-chlorophenyl)-thiophen-2-ylmethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2-amino-5-chlorophenyl)-thiophen-2-ylmethylidene]hydroxylamine (CID 119090697) is (NE)-N-[(2-amino-5-chlorophenyl)-thiophen-2-ylmethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2-amino-5-chlorophenyl)-thiophen-2-ylmethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2-amino-5-chlorophenyl)-thiophen-2-ylmethylidene]hydroxylamine is Nc1ccc(Cl)cc1/C(=N\O)c1cccs1.
What is the InChIKey of (NE)-N-[(2-amino-5-chlorophenyl)-thiophen-2-ylmethylidene]hydroxylamine?
The InChIKey is FTWLZELLWWXOKU-SDNWHVSQSA-N. The full InChI is InChI=1S/C11H9ClN2OS/c12-7-3-4-9(13)8(6-7)11(14-15)10-2-1-5-16-10/h1-6,15H,13H2/b14-11+.
What are the key properties of (NE)-N-[(2-amino-5-chlorophenyl)-thiophen-2-ylmethylidene]hydroxylamine?
(NE)-N-[(2-amino-5-chlorophenyl)-thiophen-2-ylmethylidene]hydroxylamine has a molecular weight of 252.73 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2-amino-5-chlorophenyl)-thiophen-2-ylmethylidene]hydroxylamine is sourced from PubChem (CID 119090697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).