3-chloro-4-hydroxy-N-methyl-N-(2-methylsulfanylethyl)benzamide

C11H14ClNO2S — CID 112698184

IUPAC3-chloro-4-hydroxy-N-methyl-N-(2-methylsulfanylethyl)benzamide
SMILESCSCCN(C)C(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C11H14ClNO2S/c1-13(5-6-16-2)11(15)8-3-4-10(14)9(12)7-8/h3-4,7,14H,5-6H2,1-2H3
InChIKeyHOXIMVMDEQPFCF-UHFFFAOYSA-N
MW259.76 g/mol
LogP2.48
Rot. Bonds4

About 3-chloro-4-hydroxy-N-methyl-N-(2-methylsulfanylethyl)benzamide

3-chloro-4-hydroxy-N-methyl-N-(2-methylsulfanylethyl)benzamide (PubChem CID 112698184) has the molecular formula C11H14ClNO2S and a molecular weight of 259.76 g/mol. Its IUPAC name is 3-chloro-4-hydroxy-N-methyl-N-(2-methylsulfanylethyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-hydroxy-N-methyl-N-(2-methylsulfanylethyl)benzamide
PubChem CID112698184
Molecular FormulaC11H14ClNO2S
Molecular Weight259.76 g/mol
Exact Mass259.04
IUPAC Name3-chloro-4-hydroxy-N-methyl-N-(2-methylsulfanylethyl)benzamide
SMILESCSCCN(C)C(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C11H14ClNO2S/c1-13(5-6-16-2)11(15)8-3-4-10(14)9(12)7-8/h3-4,7,14H,5-6H2,1-2H3
InChIKeyHOXIMVMDEQPFCF-UHFFFAOYSA-N
XLogP2.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-iodo-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 103747389
3-chloro-4-hydroxy-N-methyl-N-propylbenzamide
CID 43271538
2,6-dichloro-N-methyl-N-(2-methylsulfanylethyl)pyridine-4-carboxamide
CID 112698010
4-[methyl(2-methylsulfanylethyl)carbamoyl]benzoic acid
CID 112555217
3-hydroxy-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112660294
4-amino-N,3-dimethyl-N-(2-methylsulfanylethyl)benzamide
CID 112656332
4-amino-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112656326
3-amino-4-(dimethylamino)-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112656319
4-fluoro-N-methyl-N-(2-methylsulfanylethyl)-3-sulfanylbenzamide
CID 107034188
3-chloro-4,5-dimethoxy-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 71856556
3,5-diamino-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112656301
3-[(dimethylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 74242906

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-hydroxy-N-methyl-N-(2-methylsulfanylethyl)benzamide?
The IUPAC name of 3-chloro-4-hydroxy-N-methyl-N-(2-methylsulfanylethyl)benzamide (CID 112698184) is 3-chloro-4-hydroxy-N-methyl-N-(2-methylsulfanylethyl)benzamide.
What is the SMILES notation for 3-chloro-4-hydroxy-N-methyl-N-(2-methylsulfanylethyl)benzamide?
The canonical SMILES for 3-chloro-4-hydroxy-N-methyl-N-(2-methylsulfanylethyl)benzamide is CSCCN(C)C(=O)c1ccc(O)c(Cl)c1.
What is the InChIKey of 3-chloro-4-hydroxy-N-methyl-N-(2-methylsulfanylethyl)benzamide?
The InChIKey is HOXIMVMDEQPFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2S/c1-13(5-6-16-2)11(15)8-3-4-10(14)9(12)7-8/h3-4,7,14H,5-6H2,1-2H3.
What are the key properties of 3-chloro-4-hydroxy-N-methyl-N-(2-methylsulfanylethyl)benzamide?
3-chloro-4-hydroxy-N-methyl-N-(2-methylsulfanylethyl)benzamide has a molecular weight of 259.76 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-hydroxy-N-methyl-N-(2-methylsulfanylethyl)benzamide is sourced from PubChem (CID 112698184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).