3-chloro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzamide

C16H16ClNO2S — CID 97416802

IUPAC3-chloro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzamide
SMILESCSc1ccc([C@@H](O)CNC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C16H16ClNO2S/c1-21-14-7-5-11(6-8-14)15(19)10-18-16(20)12-3-2-4-13(17)9-12/h2-9,15,19H,10H2,1H3,(H,18,20)/t15-/m0/s1
InChIKeyZEHLIMDWAZRLMO-HNNXBMFYSA-N
MW321.83 g/mol
LogP3.53
Rot. Bonds5

About 3-chloro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzamide

3-chloro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzamide (PubChem CID 97416802) has the molecular formula C16H16ClNO2S and a molecular weight of 321.83 g/mol. Its IUPAC name is 3-chloro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzamide
PubChem CID97416802
Molecular FormulaC16H16ClNO2S
Molecular Weight321.83 g/mol
Exact Mass321.06
IUPAC Name3-chloro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzamide
SMILESCSc1ccc([C@@H](O)CNC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C16H16ClNO2S/c1-21-14-7-5-11(6-8-14)15(19)10-18-16(20)12-3-2-4-13(17)9-12/h2-9,15,19H,10H2,1H3,(H,18,20)/t15-/m0/s1
InChIKeyZEHLIMDWAZRLMO-HNNXBMFYSA-N
XLogP3.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-({2-[(4-Chlorobenzyl)amino]-2-oxoethyl}sulfanyl)benzoic acid
CID 901321
4-ethylsulfonyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]benzamide
CID 51098754
3-chloro-N-(2-hydroxy-2-(thiophen-2-yl)ethyl)benzamide
CID 71683855
2-Chloro-4-fluoro-N-{2-hydroxy-2-[4-(methylsulfanyl)phenyl]ethyl}benzamide
CID 71803803
N-(2-hydroxy-2-(4-(methylthio)phenyl)ethyl)-2-(trifluoromethyl)benzamide
CID 71803819
2-(2-chloro-6-fluorophenyl)-N-(2-hydroxy-2-(4-(methylthio)phenyl)ethyl)acetamide
CID 71803843
2-(ethylthio)-N-(2-hydroxy-3-phenylpropyl)benzamide
CID 56765276
4-chloro-N-(2-hydroxy-2-phenylethyl)benzamide
CID 2828911
3-chloro-N-(2-hydroxy-2-phenylethyl)benzamide
CID 2840757
2-chloro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzamide
CID 56764024
3-chloro-N-(2-hydroxy-3-phenylpropyl)benzamide
CID 56765265
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-hydroxy-3-methylbutyl)benzamide
CID 70705386

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzamide?
The IUPAC name of 3-chloro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzamide (CID 97416802) is 3-chloro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzamide?
The canonical SMILES for 3-chloro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzamide is CSc1ccc([C@@H](O)CNC(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 3-chloro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzamide?
The InChIKey is ZEHLIMDWAZRLMO-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H16ClNO2S/c1-21-14-7-5-11(6-8-14)15(19)10-18-16(20)12-3-2-4-13(17)9-12/h2-9,15,19H,10H2,1H3,(H,18,20)/t15-/m0/s1.
What are the key properties of 3-chloro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzamide?
3-chloro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzamide has a molecular weight of 321.83 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzamide is sourced from PubChem (CID 97416802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).