3-methyl-N-(2-oxopropyl)benzenesulfonamide

C10H13NO3S — CID 64994475

IUPAC3-methyl-N-(2-oxopropyl)benzenesulfonamide
SMILESCC(=O)CNS(=O)(=O)c1cccc(C)c1
InChIInChI=1S/C10H13NO3S/c1-8-4-3-5-10(6-8)15(13,14)11-7-9(2)12/h3-6,11H,7H2,1-2H3
InChIKeyCEZKVTLEOIMKJO-UHFFFAOYSA-N
MW227.28 g/mol
LogP0.86
Rot. Bonds4

About 3-methyl-N-(2-oxopropyl)benzenesulfonamide

3-methyl-N-(2-oxopropyl)benzenesulfonamide (PubChem CID 64994475) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is 3-methyl-N-(2-oxopropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-(2-oxopropyl)benzenesulfonamide
PubChem CID64994475
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name3-methyl-N-(2-oxopropyl)benzenesulfonamide
SMILESCC(=O)CNS(=O)(=O)c1cccc(C)c1
InChIInChI=1S/C10H13NO3S/c1-8-4-3-5-10(6-8)15(13,14)11-7-9(2)12/h3-6,11H,7H2,1-2H3
InChIKeyCEZKVTLEOIMKJO-UHFFFAOYSA-N
XLogP0.86
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-[(3-methylphenyl)sulfonylamino]acetamide
CID 112990843
N-(3,4-dimethylphenyl)-2-[(3-methylphenyl)sulfonylamino]acetamide
CID 112996585
benzyl 2-[(3-methylphenyl)sulfonylamino]acetate
CID 3735123
N-cycloheptyl-2-[(3-methylphenyl)sulfonylamino]acetamide
CID 112995022
N-[2-(4-cyclopropylidenepiperidin-1-yl)-2-oxoethyl]-3-methylbenzenesulfonamide
CID 121186921
N-[3-(dimethylamino)propyl]-2-[(3-methylphenyl)sulfonylamino]acetamide
CID 112991641
methyl 4-[[2-[(3-methylphenyl)sulfonylamino]acetyl]amino]benzoate
CID 112999985
(3-methylphenyl)sulfonylurea
CID 46224904
N-(2-aminoethyl)-3-methylbenzenesulfonamide;hydrochloride
CID 119960152
N-(2-chloropropyl)-3-methylbenzenesulfonamide
CID 65033837
N-(2-hydroxybutyl)-3-methylbenzenesulfonamide
CID 5018849
N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzenesulfonamide
CID 107232038

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-oxopropyl)benzenesulfonamide?
The IUPAC name of 3-methyl-N-(2-oxopropyl)benzenesulfonamide (CID 64994475) is 3-methyl-N-(2-oxopropyl)benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-(2-oxopropyl)benzenesulfonamide?
The canonical SMILES for 3-methyl-N-(2-oxopropyl)benzenesulfonamide is CC(=O)CNS(=O)(=O)c1cccc(C)c1.
What is the InChIKey of 3-methyl-N-(2-oxopropyl)benzenesulfonamide?
The InChIKey is CEZKVTLEOIMKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-8-4-3-5-10(6-8)15(13,14)11-7-9(2)12/h3-6,11H,7H2,1-2H3.
What are the key properties of 3-methyl-N-(2-oxopropyl)benzenesulfonamide?
3-methyl-N-(2-oxopropyl)benzenesulfonamide has a molecular weight of 227.28 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-oxopropyl)benzenesulfonamide is sourced from PubChem (CID 64994475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).