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

C12H17NO3S — CID 63199232

IUPACN-methyl-2-(3-methyl-2-oxobutyl)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1CC(=O)C(C)C
InChIInChI=1S/C12H17NO3S/c1-9(2)11(14)8-10-6-4-5-7-12(10)17(15,16)13-3/h4-7,9,13H,8H2,1-3H3
InChIKeyUZZQHQIDVLZBTA-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.36
Rot. Bonds5

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

N-methyl-2-(3-methyl-2-oxobutyl)benzenesulfonamide (PubChem CID 63199232) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-methyl-2-(3-methyl-2-oxobutyl)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-2-(3-methyl-2-oxobutyl)benzenesulfonamide
PubChem CID63199232
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC NameN-methyl-2-(3-methyl-2-oxobutyl)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1CC(=O)C(C)C
InChIInChI=1S/C12H17NO3S/c1-9(2)11(14)8-10-6-4-5-7-12(10)17(15,16)13-3/h4-7,9,13H,8H2,1-3H3
InChIKeyUZZQHQIDVLZBTA-UHFFFAOYSA-N
XLogP1.36
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methyl-2-oxobutyl)-N-propan-2-ylbenzenesulfonamide
CID 63198818
2-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 67449324
2-[[2-(methylsulfamoyl)phenyl]methyl]prop-2-enoic acid
CID 66674640
2-(2-amino-3-methylbutyl)-N-methylbenzenesulfonamide
CID 63197585
1-(2-ethylphenyl)-3-methylbutan-2-one
CID 20612116
2-(3,3-dimethyl-2-oxobutyl)-N-propan-2-ylbenzenesulfonamide
CID 63199010
2-bromo-N-[2-(methylsulfamoyl)phenyl]propanamide
CID 107903498
2-(2-chloro-2-phenylethyl)-N-methylbenzenesulfonamide
CID 63205435
2-[2-(methylsulfamoyl)anilino]-N-propan-2-ylacetamide
CID 43567944
2-dodecyl-N-methylbenzenesulfonamide
CID 154206343
3-methyl-1-[2-(2-oxopropyl)phenyl]butan-2-one
CID 138721805
2-acetyl-N-methylbenzenesulfonamide
CID 130548930

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-methyl-2-oxobutyl)benzenesulfonamide?
The IUPAC name of N-methyl-2-(3-methyl-2-oxobutyl)benzenesulfonamide (CID 63199232) is N-methyl-2-(3-methyl-2-oxobutyl)benzenesulfonamide.
What is the SMILES notation for N-methyl-2-(3-methyl-2-oxobutyl)benzenesulfonamide?
The canonical SMILES for N-methyl-2-(3-methyl-2-oxobutyl)benzenesulfonamide is CNS(=O)(=O)c1ccccc1CC(=O)C(C)C.
What is the InChIKey of N-methyl-2-(3-methyl-2-oxobutyl)benzenesulfonamide?
The InChIKey is UZZQHQIDVLZBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-9(2)11(14)8-10-6-4-5-7-12(10)17(15,16)13-3/h4-7,9,13H,8H2,1-3H3.
What are the key properties of N-methyl-2-(3-methyl-2-oxobutyl)benzenesulfonamide?
N-methyl-2-(3-methyl-2-oxobutyl)benzenesulfonamide has a molecular weight of 255.34 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-methyl-2-oxobutyl)benzenesulfonamide is sourced from PubChem (CID 63199232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).