2-chloro-5-hydroxy-N-(2-methylsulfanylpropyl)benzamide

C11H14ClNO2S — CID 106502147

IUPAC2-chloro-5-hydroxy-N-(2-methylsulfanylpropyl)benzamide
SMILESCSC(C)CNC(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C11H14ClNO2S/c1-7(16-2)6-13-11(15)9-5-8(14)3-4-10(9)12/h3-5,7,14H,6H2,1-2H3,(H,13,15)
InChIKeyPZSZALVQCWAUOK-UHFFFAOYSA-N
MW259.76 g/mol
LogP2.53
Rot. Bonds4

About 2-chloro-5-hydroxy-N-(2-methylsulfanylpropyl)benzamide

2-chloro-5-hydroxy-N-(2-methylsulfanylpropyl)benzamide (PubChem CID 106502147) has the molecular formula C11H14ClNO2S and a molecular weight of 259.76 g/mol. Its IUPAC name is 2-chloro-5-hydroxy-N-(2-methylsulfanylpropyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-hydroxy-N-(2-methylsulfanylpropyl)benzamide
PubChem CID106502147
Molecular FormulaC11H14ClNO2S
Molecular Weight259.76 g/mol
Exact Mass259.04
IUPAC Name2-chloro-5-hydroxy-N-(2-methylsulfanylpropyl)benzamide
SMILESCSC(C)CNC(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C11H14ClNO2S/c1-7(16-2)6-13-11(15)9-5-8(14)3-4-10(9)12/h3-5,7,14H,6H2,1-2H3,(H,13,15)
InChIKeyPZSZALVQCWAUOK-UHFFFAOYSA-N
XLogP2.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-chloro-5-hydroxy-N-(2-methylsulfanylpropyl)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-chloro-5-hydroxy-N-(4-hydroxy-2-methylbutyl)benzamide
CID 106502483
2-chloro-5-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 106502576
3-chloro-N-(2-methylsulfanylpropyl)pyridine-4-carboxamide
CID 115759484
2-chloro-N-(2-methylsulfanylpropyl)-4-nitrobenzamide
CID 115759396
N-(4-aminopentyl)-2-chloro-5-hydroxybenzamide
CID 114146404
2-(3-hydroxyphenyl)-N-(2-methylsulfanylpropyl)acetamide
CID 115760554
N-(1-bromopropan-2-yl)-2-chloro-5-hydroxybenzamide
CID 106503155
2-methyl-N-(2-methylsulfanylpropyl)-5-sulfanylbenzamide
CID 107035141
5-bromo-2-chloro-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide
CID 115759495
2,5-dichloro-N-[(2R)-2-hydroxypropyl]benzamide
CID 83031874
methyl 3-[(2-chloro-5-hydroxybenzoyl)amino]propanoate
CID 106501475
2-chloro-N-(2-ethylsulfonylethyl)-5-hydroxybenzamide
CID 106741452

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-hydroxy-N-(2-methylsulfanylpropyl)benzamide?
The IUPAC name of 2-chloro-5-hydroxy-N-(2-methylsulfanylpropyl)benzamide (CID 106502147) is 2-chloro-5-hydroxy-N-(2-methylsulfanylpropyl)benzamide.
What is the SMILES notation for 2-chloro-5-hydroxy-N-(2-methylsulfanylpropyl)benzamide?
The canonical SMILES for 2-chloro-5-hydroxy-N-(2-methylsulfanylpropyl)benzamide is CSC(C)CNC(=O)c1cc(O)ccc1Cl.
What is the InChIKey of 2-chloro-5-hydroxy-N-(2-methylsulfanylpropyl)benzamide?
The InChIKey is PZSZALVQCWAUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2S/c1-7(16-2)6-13-11(15)9-5-8(14)3-4-10(9)12/h3-5,7,14H,6H2,1-2H3,(H,13,15).
What are the key properties of 2-chloro-5-hydroxy-N-(2-methylsulfanylpropyl)benzamide?
2-chloro-5-hydroxy-N-(2-methylsulfanylpropyl)benzamide has a molecular weight of 259.76 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-hydroxy-N-(2-methylsulfanylpropyl)benzamide is sourced from PubChem (CID 106502147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).