2-hydroxy-3-methyl-N-(2-methylsulfonylethyl)benzamide

C11H15NO4S — CID 54934799

IUPAC2-hydroxy-3-methyl-N-(2-methylsulfonylethyl)benzamide
SMILESCc1cccc(C(=O)NCCS(C)(=O)=O)c1O
InChIInChI=1S/C11H15NO4S/c1-8-4-3-5-9(10(8)13)11(14)12-6-7-17(2,15)16/h3-5,13H,6-7H2,1-2H3,(H,12,14)
InChIKeyYMMZPGDOXMEJRP-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.48
Rot. Bonds4

About 2-hydroxy-3-methyl-N-(2-methylsulfonylethyl)benzamide

2-hydroxy-3-methyl-N-(2-methylsulfonylethyl)benzamide (PubChem CID 54934799) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-hydroxy-3-methyl-N-(2-methylsulfonylethyl)benzamide.

Molecular Properties

Compound Name2-hydroxy-3-methyl-N-(2-methylsulfonylethyl)benzamide
PubChem CID54934799
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name2-hydroxy-3-methyl-N-(2-methylsulfonylethyl)benzamide
SMILESCc1cccc(C(=O)NCCS(C)(=O)=O)c1O
InChIInChI=1S/C11H15NO4S/c1-8-4-3-5-9(10(8)13)11(14)12-6-7-17(2,15)16/h3-5,13H,6-7H2,1-2H3,(H,12,14)
InChIKeyYMMZPGDOXMEJRP-UHFFFAOYSA-N
XLogP0.48
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-difluoro-N-(2-methylsulfonylethyl)benzamide
CID 62650533
2-hydroxy-N-(3-iodopropyl)-3-methylbenzamide
CID 114504231
2-[(2-hydroxy-3-methylbenzoyl)amino]-4-methylsulfonylbutanoic acid
CID 43094510
2-methoxy-N-(2-methylsulfonylethyl)benzamide
CID 47230081
2-hydroxy-3-methyl-N-[4-(propan-2-ylamino)butyl]benzamide
CID 167628085
2-hydroxy-3-methyl-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 60712545
3-[2-methyl-3-(2-methylsulfonylethylcarbamoyl)phenyl]prop-2-enoic acid
CID 77072917
4-(5-hydroxy-2-methylanilino)-N-(2-methylsulfonylethyl)quinoline-8-carboxamide
CID 118339805
N-(2,2-dimethoxyethyl)-2-hydroxy-3-methylbenzamide
CID 60653247
2,4-dimethyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide
CID 62045621
N-(3-ethylsulfanylpropyl)-2-hydroxy-3-methylbenzamide
CID 114248145
N-[2-(2-bromoethoxy)ethyl]-2-hydroxy-3-methylbenzamide
CID 114309468

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methyl-N-(2-methylsulfonylethyl)benzamide?
The IUPAC name of 2-hydroxy-3-methyl-N-(2-methylsulfonylethyl)benzamide (CID 54934799) is 2-hydroxy-3-methyl-N-(2-methylsulfonylethyl)benzamide.
What is the SMILES notation for 2-hydroxy-3-methyl-N-(2-methylsulfonylethyl)benzamide?
The canonical SMILES for 2-hydroxy-3-methyl-N-(2-methylsulfonylethyl)benzamide is Cc1cccc(C(=O)NCCS(C)(=O)=O)c1O.
What is the InChIKey of 2-hydroxy-3-methyl-N-(2-methylsulfonylethyl)benzamide?
The InChIKey is YMMZPGDOXMEJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-8-4-3-5-9(10(8)13)11(14)12-6-7-17(2,15)16/h3-5,13H,6-7H2,1-2H3,(H,12,14).
What are the key properties of 2-hydroxy-3-methyl-N-(2-methylsulfonylethyl)benzamide?
2-hydroxy-3-methyl-N-(2-methylsulfonylethyl)benzamide has a molecular weight of 257.31 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methyl-N-(2-methylsulfonylethyl)benzamide is sourced from PubChem (CID 54934799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).