5-chloro-2-hydroxy-N-[(E)-thiolan-3-ylideneamino]benzamide

C11H11ClN2O2S — CID 5348386

IUPAC5-chloro-2-hydroxy-N-[(E)-thiolan-3-ylideneamino]benzamide
SMILESO=C(N/N=C1\CCSC1)c1cc(Cl)ccc1O
InChIInChI=1S/C11H11ClN2O2S/c12-7-1-2-10(15)9(5-7)11(16)14-13-8-3-4-17-6-8/h1-2,5,15H,3-4,6H2,(H,14,16)/b13-8+
InChIKeyMQRCYSCXVONNIK-MDWZMJQESA-N
MW270.74 g/mol
LogP2.27
Rot. Bonds2

About 5-chloro-2-hydroxy-N-[(E)-thiolan-3-ylideneamino]benzamide

5-chloro-2-hydroxy-N-[(E)-thiolan-3-ylideneamino]benzamide (PubChem CID 5348386) has the molecular formula C11H11ClN2O2S and a molecular weight of 270.74 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N-[(E)-thiolan-3-ylideneamino]benzamide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-N-[(E)-thiolan-3-ylideneamino]benzamide
PubChem CID5348386
Molecular FormulaC11H11ClN2O2S
Molecular Weight270.74 g/mol
Exact Mass270.02
IUPAC Name5-chloro-2-hydroxy-N-[(E)-thiolan-3-ylideneamino]benzamide
SMILESO=C(N/N=C1\CCSC1)c1cc(Cl)ccc1O
InChIInChI=1S/C11H11ClN2O2S/c12-7-1-2-10(15)9(5-7)11(16)14-13-8-3-4-17-6-8/h1-2,5,15H,3-4,6H2,(H,14,16)/b13-8+
InChIKeyMQRCYSCXVONNIK-MDWZMJQESA-N
XLogP2.27
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.74
LogP ≤ 52.27
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'}

Analyze 5-chloro-2-hydroxy-N-[(E)-thiolan-3-ylideneamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-N-[(E)-thiolan-3-ylideneamino]benzamide?
The IUPAC name of 5-chloro-2-hydroxy-N-[(E)-thiolan-3-ylideneamino]benzamide (CID 5348386) is 5-chloro-2-hydroxy-N-[(E)-thiolan-3-ylideneamino]benzamide.
What is the SMILES notation for 5-chloro-2-hydroxy-N-[(E)-thiolan-3-ylideneamino]benzamide?
The canonical SMILES for 5-chloro-2-hydroxy-N-[(E)-thiolan-3-ylideneamino]benzamide is O=C(N/N=C1\CCSC1)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-2-hydroxy-N-[(E)-thiolan-3-ylideneamino]benzamide?
The InChIKey is MQRCYSCXVONNIK-MDWZMJQESA-N. The full InChI is InChI=1S/C11H11ClN2O2S/c12-7-1-2-10(15)9(5-7)11(16)14-13-8-3-4-17-6-8/h1-2,5,15H,3-4,6H2,(H,14,16)/b13-8+.
What are the key properties of 5-chloro-2-hydroxy-N-[(E)-thiolan-3-ylideneamino]benzamide?
5-chloro-2-hydroxy-N-[(E)-thiolan-3-ylideneamino]benzamide has a molecular weight of 270.74 g/mol, XLogP of 2.27, 2 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-[(E)-thiolan-3-ylideneamino]benzamide is sourced from PubChem (CID 5348386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).