2-acetyl-N-methylbenzenesulfonamide

C9H11NO3S — CID 130548930

IUPAC2-acetyl-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1C(C)=O
InChIInChI=1S/C9H11NO3S/c1-7(11)8-5-3-4-6-9(8)14(12,13)10-2/h3-6,10H,1-2H3
InChIKeyBRVAGWFBVMGRPZ-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.80
Rot. Bonds3

About 2-acetyl-N-methylbenzenesulfonamide

2-acetyl-N-methylbenzenesulfonamide (PubChem CID 130548930) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is 2-acetyl-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-acetyl-N-methylbenzenesulfonamide
PubChem CID130548930
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC Name2-acetyl-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1C(C)=O
InChIInChI=1S/C9H11NO3S/c1-7(11)8-5-3-4-6-9(8)14(12,13)10-2/h3-6,10H,1-2H3
InChIKeyBRVAGWFBVMGRPZ-UHFFFAOYSA-N
XLogP0.80
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethylsulfonylphenyl)ethanone
CID 118020273
2-fluoro-N-[2-(methylsulfamoyl)phenyl]benzamide
CID 61042650
2-bromo-N-methylbenzenesulfonamide
CID 850141
2-tert-butyl-N-methylbenzenesulfonamide
CID 118909876
2-methyl-3-[2-(methylsulfamoyl)phenyl]prop-2-enoic acid
CID 66674641
N-methyl-2-(3-methyl-2-oxobutyl)benzenesulfonamide
CID 63199232
1-(2-acetylphenyl)ethanone;methane
CID 158210616
N-methyl-2-(2-oxopentan-3-yl)benzenesulfonamide
CID 63196525
3-(2-acetylphenyl)-3-methylbutan-2-one
CID 90248723
N-methyl-2-[[2-(methylsulfamoyl)phenyl]diselanyl]benzenesulfonamide
CID 10553370
cerium;1-(2-hydroxyphenyl)ethanone
CID 174280590
bis(1-(2-hydroxyphenyl)ethanone);zirconium
CID 87865139

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-N-methylbenzenesulfonamide?
The IUPAC name of 2-acetyl-N-methylbenzenesulfonamide (CID 130548930) is 2-acetyl-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-acetyl-N-methylbenzenesulfonamide?
The canonical SMILES for 2-acetyl-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccccc1C(C)=O.
What is the InChIKey of 2-acetyl-N-methylbenzenesulfonamide?
The InChIKey is BRVAGWFBVMGRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c1-7(11)8-5-3-4-6-9(8)14(12,13)10-2/h3-6,10H,1-2H3.
What are the key properties of 2-acetyl-N-methylbenzenesulfonamide?
2-acetyl-N-methylbenzenesulfonamide has a molecular weight of 213.26 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-N-methylbenzenesulfonamide is sourced from PubChem (CID 130548930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).