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

C16H16ClNO2S — CID 90581781

IUPAC4-chloro-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzamide
SMILESCSc1ccc(C(O)CNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16ClNO2S/c1-21-14-8-4-11(5-9-14)15(19)10-18-16(20)12-2-6-13(17)7-3-12/h2-9,15,19H,10H2,1H3,(H,18,20)
InChIKeyJWZPVAJMUQDIJP-UHFFFAOYSA-N
MW321.83 g/mol
LogP3.53
Rot. Bonds5

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

4-chloro-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzamide (PubChem CID 90581781) has the molecular formula C16H16ClNO2S and a molecular weight of 321.83 g/mol. Its IUPAC name is 4-chloro-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzamide
PubChem CID90581781
Molecular FormulaC16H16ClNO2S
Molecular Weight321.83 g/mol
Exact Mass321.06
IUPAC Name4-chloro-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzamide
SMILESCSc1ccc(C(O)CNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16ClNO2S/c1-21-14-8-4-11(5-9-14)15(19)10-18-16(20)12-2-6-13(17)7-3-12/h2-9,15,19H,10H2,1H3,(H,18,20)
InChIKeyJWZPVAJMUQDIJP-UHFFFAOYSA-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

4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110885428
methyl 4-[[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]carbamoyl]benzoate
CID 97416840
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-methylsulfonylbenzamide
CID 47022574
N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]thiophene-3-carboxamide
CID 97416773
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-[(dimethylamino)methyl]benzamide
CID 110885502
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-4-methylsulfanylbenzamide
CID 111451310
2-(4-chlorophenoxy)-N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-methylpropanamide
CID 97416886
N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 97416896
4-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 43874065
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-methylsulfanylbenzamide
CID 110004599
4-chloro-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]benzamide
CID 90613299
2-(2-chlorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide
CID 90581804

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzamide (CID 90581781) is 4-chloro-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzamide is CSc1ccc(C(O)CNC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzamide?
The InChIKey is JWZPVAJMUQDIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2S/c1-21-14-8-4-11(5-9-14)15(19)10-18-16(20)12-2-6-13(17)7-3-12/h2-9,15,19H,10H2,1H3,(H,18,20).
What are the key properties of 4-chloro-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzamide?
4-chloro-N-[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 4-chloro-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzamide is sourced from PubChem (CID 90581781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).