4-chloro-2-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide

C13H16ClNO2S — CID 80544557

IUPAC4-chloro-2-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide
SMILESCC1(CNC(=O)c2ccc(Cl)cc2O)CCCS1
InChIInChI=1S/C13H16ClNO2S/c1-13(5-2-6-18-13)8-15-12(17)10-4-3-9(14)7-11(10)16/h3-4,7,16H,2,5-6,8H2,1H3,(H,15,17)
InChIKeyCWSNKBVTXVRDLD-UHFFFAOYSA-N
MW285.80 g/mol
LogP3.06
Rot. Bonds3

About 4-chloro-2-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide

4-chloro-2-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide (PubChem CID 80544557) has the molecular formula C13H16ClNO2S and a molecular weight of 285.80 g/mol. Its IUPAC name is 4-chloro-2-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-chloro-2-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide
PubChem CID80544557
Molecular FormulaC13H16ClNO2S
Molecular Weight285.80 g/mol
Exact Mass285.06
IUPAC Name4-chloro-2-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide
SMILESCC1(CNC(=O)c2ccc(Cl)cc2O)CCCS1
InChIInChI=1S/C13H16ClNO2S/c1-13(5-2-6-18-13)8-15-12(17)10-4-3-9(14)7-11(10)16/h3-4,7,16H,2,5-6,8H2,1H3,(H,15,17)
InChIKeyCWSNKBVTXVRDLD-UHFFFAOYSA-N
XLogP3.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.80
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-chloro-2-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

2,4-dihydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 103759085
4-chloro-2-methoxy-N-[[(2S)-2-methylthiolan-2-yl]methyl]benzamide
CID 96541178
2-fluoro-4-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 113355644
4-chloro-N-[(1-ethylcyclopropyl)methyl]-2-hydroxybenzamide
CID 113251997
2-chloro-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-carboxamide
CID 80528718
4-bromo-N-[(2-methylthiolan-2-yl)methyl]-2-sulfanylbenzamide
CID 107032909
2-amino-5-methyl-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 80726929
3,5-dihydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 113347322
2-amino-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 80725565
3-bromo-5-chloro-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 107952902
2-chloro-N-[(2-methylthiolan-2-yl)methyl]quinoline-4-carboxamide
CID 80524297
6-methyl-N-[(2-methylthiolan-2-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103757770

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide?
The IUPAC name of 4-chloro-2-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide (CID 80544557) is 4-chloro-2-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide.
What is the SMILES notation for 4-chloro-2-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide?
The canonical SMILES for 4-chloro-2-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide is CC1(CNC(=O)c2ccc(Cl)cc2O)CCCS1.
What is the InChIKey of 4-chloro-2-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide?
The InChIKey is CWSNKBVTXVRDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2S/c1-13(5-2-6-18-13)8-15-12(17)10-4-3-9(14)7-11(10)16/h3-4,7,16H,2,5-6,8H2,1H3,(H,15,17).
What are the key properties of 4-chloro-2-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide?
4-chloro-2-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide has a molecular weight of 285.80 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide is sourced from PubChem (CID 80544557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).