2-(3,3-dimethyl-2-oxobutyl)-N,N-dimethylbenzenesulfonamide

C14H21NO3S — CID 63198745

IUPAC2-(3,3-dimethyl-2-oxobutyl)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccccc1CC(=O)C(C)(C)C
InChIInChI=1S/C14H21NO3S/c1-14(2,3)13(16)10-11-8-6-7-9-12(11)19(17,18)15(4)5/h6-9H,10H2,1-5H3
InChIKeyPUJSUAQTQGYQGA-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.09
Rot. Bonds4

About 2-(3,3-dimethyl-2-oxobutyl)-N,N-dimethylbenzenesulfonamide

2-(3,3-dimethyl-2-oxobutyl)-N,N-dimethylbenzenesulfonamide (PubChem CID 63198745) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 2-(3,3-dimethyl-2-oxobutyl)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-(3,3-dimethyl-2-oxobutyl)-N,N-dimethylbenzenesulfonamide
PubChem CID63198745
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name2-(3,3-dimethyl-2-oxobutyl)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccccc1CC(=O)C(C)(C)C
InChIInChI=1S/C14H21NO3S/c1-14(2,3)13(16)10-11-8-6-7-9-12(11)19(17,18)15(4)5/h6-9H,10H2,1-5H3
InChIKeyPUJSUAQTQGYQGA-UHFFFAOYSA-N
XLogP2.09
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,3-dimethyl-2-oxobutyl)-N-propan-2-ylbenzenesulfonamide
CID 63199010
1-benzyl-3-[[2-(dimethylsulfamoyl)phenyl]methyl]urea
CID 24664693
1-(2-bromophenyl)-3,3-dimethylbutan-2-one
CID 59617524
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-methylbut-2-enamide
CID 47143995
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-prop-2-ynylurea
CID 17459150
N,N-dimethyl-2-[2-(methylamino)butyl]benzenesulfonamide
CID 63202014
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,3-dimethylguanidine;hydroiodide
CID 110914553
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 41267217
2-chloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzamide
CID 41266673
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methyl-5-(methylsulfamoyl)benzamide
CID 24614043
cis-(1S,2R)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 26247678
4-tert-butyl-N-[2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 26060387

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethyl-2-oxobutyl)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2-(3,3-dimethyl-2-oxobutyl)-N,N-dimethylbenzenesulfonamide (CID 63198745) is 2-(3,3-dimethyl-2-oxobutyl)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-(3,3-dimethyl-2-oxobutyl)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2-(3,3-dimethyl-2-oxobutyl)-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccccc1CC(=O)C(C)(C)C.
What is the InChIKey of 2-(3,3-dimethyl-2-oxobutyl)-N,N-dimethylbenzenesulfonamide?
The InChIKey is PUJSUAQTQGYQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-14(2,3)13(16)10-11-8-6-7-9-12(11)19(17,18)15(4)5/h6-9H,10H2,1-5H3.
What are the key properties of 2-(3,3-dimethyl-2-oxobutyl)-N,N-dimethylbenzenesulfonamide?
2-(3,3-dimethyl-2-oxobutyl)-N,N-dimethylbenzenesulfonamide has a molecular weight of 283.39 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethyl-2-oxobutyl)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 63198745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).