5-chloro-N-[(Z)-(3-hydroxy-4-nitrophenyl)methylideneamino]thiophene-2-carboxamide

C12H8ClN3O4S — CID 146510338

IUPAC5-chloro-N-[(Z)-(3-hydroxy-4-nitrophenyl)methylideneamino]thiophene-2-carboxamide
SMILESO=C(N/N=C\c1ccc([N+](=O)[O-])c(O)c1)c1ccc(Cl)s1
InChIInChI=1S/C12H8ClN3O4S/c13-11-4-3-10(21-11)12(18)15-14-6-7-1-2-8(16(19)20)9(17)5-7/h1-6,17H,(H,15,18)/b14-6-
InChIKeyDFHSICNLYJZQNW-NSIKDUERSA-N
MW325.73 g/mol
LogP2.78
Rot. Bonds4

About 5-chloro-N-[(Z)-(3-hydroxy-4-nitrophenyl)methylideneamino]thiophene-2-carboxamide

5-chloro-N-[(Z)-(3-hydroxy-4-nitrophenyl)methylideneamino]thiophene-2-carboxamide (PubChem CID 146510338) has the molecular formula C12H8ClN3O4S and a molecular weight of 325.73 g/mol. Its IUPAC name is 5-chloro-N-[(Z)-(3-hydroxy-4-nitrophenyl)methylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(Z)-(3-hydroxy-4-nitrophenyl)methylideneamino]thiophene-2-carboxamide
PubChem CID146510338
Molecular FormulaC12H8ClN3O4S
Molecular Weight325.73 g/mol
Exact Mass324.99
IUPAC Name5-chloro-N-[(Z)-(3-hydroxy-4-nitrophenyl)methylideneamino]thiophene-2-carboxamide
SMILESO=C(N/N=C\c1ccc([N+](=O)[O-])c(O)c1)c1ccc(Cl)s1
InChIInChI=1S/C12H8ClN3O4S/c13-11-4-3-10(21-11)12(18)15-14-6-7-1-2-8(16(19)20)9(17)5-7/h1-6,17H,(H,15,18)/b14-6-
InChIKeyDFHSICNLYJZQNW-NSIKDUERSA-N
XLogP2.78
TPSA104.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.73
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[(E)-(3-hydroxy-4-nitrophenyl)methylideneamino]benzamide
CID 51712109
3-hydroxy-N-[(E)-(3-hydroxy-4-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
CID 146510329
N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]thiophene-2-carboxamide
CID 135619471
5-bromo-N-[(E)-(3-hydroxy-4-nitrophenyl)methylideneamino]pyridine-3-carboxamide
CID 6899822
N-[(E)-(3-hydroxy-4-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 44615989
2-chloro-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135696942
2-hydroxy-N-[(3-hydroxy-4-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 3446242
5-chloro-N-[(E)-(4-ethoxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 6874584
N-[(4-chloro-3-nitrophenyl)methylideneamino]-2,4-dihydroxybenzamide
CID 764254
N-[(3-hydroxy-4-nitrophenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 758785
N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 5431937
4-amino-N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 136789360

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(Z)-(3-hydroxy-4-nitrophenyl)methylideneamino]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[(Z)-(3-hydroxy-4-nitrophenyl)methylideneamino]thiophene-2-carboxamide (CID 146510338) is 5-chloro-N-[(Z)-(3-hydroxy-4-nitrophenyl)methylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(Z)-(3-hydroxy-4-nitrophenyl)methylideneamino]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(Z)-(3-hydroxy-4-nitrophenyl)methylideneamino]thiophene-2-carboxamide is O=C(N/N=C\c1ccc([N+](=O)[O-])c(O)c1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(Z)-(3-hydroxy-4-nitrophenyl)methylideneamino]thiophene-2-carboxamide?
The InChIKey is DFHSICNLYJZQNW-NSIKDUERSA-N. The full InChI is InChI=1S/C12H8ClN3O4S/c13-11-4-3-10(21-11)12(18)15-14-6-7-1-2-8(16(19)20)9(17)5-7/h1-6,17H,(H,15,18)/b14-6-.
What are the key properties of 5-chloro-N-[(Z)-(3-hydroxy-4-nitrophenyl)methylideneamino]thiophene-2-carboxamide?
5-chloro-N-[(Z)-(3-hydroxy-4-nitrophenyl)methylideneamino]thiophene-2-carboxamide has a molecular weight of 325.73 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(Z)-(3-hydroxy-4-nitrophenyl)methylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 146510338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).