5-chloro-2-hydroxy-N-[(5-methylthiophen-2-yl)methylideneamino]benzamide

C13H11ClN2O2S — CID 749495

IUPAC5-chloro-2-hydroxy-N-[(5-methylthiophen-2-yl)methylideneamino]benzamide
SMILESCc1ccc(C=NNC(=O)c2cc(Cl)ccc2O)s1
InChIInChI=1S/C13H11ClN2O2S/c1-8-2-4-10(19-8)7-15-16-13(18)11-6-9(14)3-5-12(11)17/h2-7,17H,1H3,(H,16,18)
InChIKeySRXOHYIQNAFNLX-UHFFFAOYSA-N
MW294.76 g/mol
LogP3.18
Rot. Bonds3

About 5-chloro-2-hydroxy-N-[(5-methylthiophen-2-yl)methylideneamino]benzamide

5-chloro-2-hydroxy-N-[(5-methylthiophen-2-yl)methylideneamino]benzamide (PubChem CID 749495) has the molecular formula C13H11ClN2O2S and a molecular weight of 294.76 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N-[(5-methylthiophen-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-N-[(5-methylthiophen-2-yl)methylideneamino]benzamide
PubChem CID749495
Molecular FormulaC13H11ClN2O2S
Molecular Weight294.76 g/mol
Exact Mass294.02
IUPAC Name5-chloro-2-hydroxy-N-[(5-methylthiophen-2-yl)methylideneamino]benzamide
SMILESCc1ccc(C=NNC(=O)c2cc(Cl)ccc2O)s1
InChIInChI=1S/C13H11ClN2O2S/c1-8-2-4-10(19-8)7-15-16-13(18)11-6-9(14)3-5-12(11)17/h2-7,17H,1H3,(H,16,18)
InChIKeySRXOHYIQNAFNLX-UHFFFAOYSA-N
XLogP3.18
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5417784
4-chloro-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5416541
2-chloro-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5396825
2-methyl-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5418279
5-chloro-2-hydroxy-N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]benzamide
CID 9297976
2,5-dimethyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]furan-3-carboxamide
CID 6893765
3-chloro-4-methyl-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 126058288
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-chloro-2-hydroxybenzamide
CID 135615369
2-methyl-N-[(5-methylthiophen-2-yl)methylideneamino]furan-3-carboxamide
CID 761677
2-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]furan-3-carboxamide
CID 6886797
2-(2-hydroxyphenyl)-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide
CID 135647424
4-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5418148

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-N-[(5-methylthiophen-2-yl)methylideneamino]benzamide?
The IUPAC name of 5-chloro-2-hydroxy-N-[(5-methylthiophen-2-yl)methylideneamino]benzamide (CID 749495) is 5-chloro-2-hydroxy-N-[(5-methylthiophen-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 5-chloro-2-hydroxy-N-[(5-methylthiophen-2-yl)methylideneamino]benzamide?
The canonical SMILES for 5-chloro-2-hydroxy-N-[(5-methylthiophen-2-yl)methylideneamino]benzamide is Cc1ccc(C=NNC(=O)c2cc(Cl)ccc2O)s1.
What is the InChIKey of 5-chloro-2-hydroxy-N-[(5-methylthiophen-2-yl)methylideneamino]benzamide?
The InChIKey is SRXOHYIQNAFNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2S/c1-8-2-4-10(19-8)7-15-16-13(18)11-6-9(14)3-5-12(11)17/h2-7,17H,1H3,(H,16,18).
What are the key properties of 5-chloro-2-hydroxy-N-[(5-methylthiophen-2-yl)methylideneamino]benzamide?
5-chloro-2-hydroxy-N-[(5-methylthiophen-2-yl)methylideneamino]benzamide has a molecular weight of 294.76 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxy-N-[(5-methylthiophen-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 749495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).