N-ethylsulfonyl-2-methylbenzamide

C10H13NO3S — CID 18331687

IUPACN-ethylsulfonyl-2-methylbenzamide
SMILESCCS(=O)(=O)NC(=O)c1ccccc1C
InChIInChI=1S/C10H13NO3S/c1-3-15(13,14)11-10(12)9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3,(H,11,12)
InChIKeyJOFVKOXEOUTXGA-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.07
Rot. Bonds3

About N-ethylsulfonyl-2-methylbenzamide

N-ethylsulfonyl-2-methylbenzamide (PubChem CID 18331687) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is N-ethylsulfonyl-2-methylbenzamide.

Molecular Properties

Compound NameN-ethylsulfonyl-2-methylbenzamide
PubChem CID18331687
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC NameN-ethylsulfonyl-2-methylbenzamide
SMILESCCS(=O)(=O)NC(=O)c1ccccc1C
InChIInChI=1S/C10H13NO3S/c1-3-15(13,14)11-10(12)9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3,(H,11,12)
InChIKeyJOFVKOXEOUTXGA-UHFFFAOYSA-N
XLogP1.07
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(hydroxymethyl)-2-methylbenzamide
CID 5234338
2-methyl-N-(2-methyl-3-oxopentan-2-yl)benzamide
CID 10059880
1-N',4-N'-bis(2-methylbenzoyl)butanedihydrazide
CID 4630875
2-[(2-methylbenzoyl)amino]-3-sulfopropanoic acid
CID 46203444
N-hexyl-2-methylbenzamide
CID 3017102
ethane;N-(2-hydroxyethyl)-2-methylbenzamide
CID 143093743
N-[(dimethylamino)methyl]-2-methylbenzamide
CID 67624413
N-(1-chlorobutan-2-yl)-2-methylbenzamide
CID 114294187
2-methyl-N-[(Z)-1-phenylpropylideneamino]benzamide
CID 5391962
N-(4-ethylpyridin-1-ium-1-yl)-2-methylbenzamide
CID 10610085
1-ethyl-3-[(2-methylbenzoyl)amino]thiourea
CID 4299886
N-ethylsulfonyl-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 144617970

Frequently Asked Questions

What is the IUPAC name of N-ethylsulfonyl-2-methylbenzamide?
The IUPAC name of N-ethylsulfonyl-2-methylbenzamide (CID 18331687) is N-ethylsulfonyl-2-methylbenzamide.
What is the SMILES notation for N-ethylsulfonyl-2-methylbenzamide?
The canonical SMILES for N-ethylsulfonyl-2-methylbenzamide is CCS(=O)(=O)NC(=O)c1ccccc1C.
What is the InChIKey of N-ethylsulfonyl-2-methylbenzamide?
The InChIKey is JOFVKOXEOUTXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-3-15(13,14)11-10(12)9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3,(H,11,12).
What are the key properties of N-ethylsulfonyl-2-methylbenzamide?
N-ethylsulfonyl-2-methylbenzamide has a molecular weight of 227.28 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylsulfonyl-2-methylbenzamide is sourced from PubChem (CID 18331687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).