2-(3,3-dimethyl-2-oxobutyl)-N-propan-2-ylbenzenesulfonamide

C15H23NO3S — CID 63199010

IUPAC2-(3,3-dimethyl-2-oxobutyl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccccc1CC(=O)C(C)(C)C
InChIInChI=1S/C15H23NO3S/c1-11(2)16-20(18,19)13-9-7-6-8-12(13)10-14(17)15(3,4)5/h6-9,11,16H,10H2,1-5H3
InChIKeyKARODWZMPBBEMY-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.53
Rot. Bonds5

About 2-(3,3-dimethyl-2-oxobutyl)-N-propan-2-ylbenzenesulfonamide

2-(3,3-dimethyl-2-oxobutyl)-N-propan-2-ylbenzenesulfonamide (PubChem CID 63199010) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-(3,3-dimethyl-2-oxobutyl)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-(3,3-dimethyl-2-oxobutyl)-N-propan-2-ylbenzenesulfonamide
PubChem CID63199010
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name2-(3,3-dimethyl-2-oxobutyl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccccc1CC(=O)C(C)(C)C
InChIInChI=1S/C15H23NO3S/c1-11(2)16-20(18,19)13-9-7-6-8-12(13)10-14(17)15(3,4)5/h6-9,11,16H,10H2,1-5H3
InChIKeyKARODWZMPBBEMY-UHFFFAOYSA-N
XLogP2.53
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.53
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-amino-3,3-dimethylbutyl)-N-propan-2-ylbenzenesulfonamide
CID 63196503
2-(3,3-dimethyl-2-oxobutyl)-N,N-dimethylbenzenesulfonamide
CID 63198745
2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide
CID 43500172
2-dodecyl-N-propan-2-ylbenzenesulfonamide
CID 154161934
N-methyl-2-(3-methyl-2-oxobutyl)benzenesulfonamide
CID 63199232
2-(2-chloropentyl)-N-propan-2-ylbenzenesulfonamide
CID 63202897
2,2-dimethyl-3-[2-(propan-2-ylsulfamoyl)anilino]propanamide
CID 106277873
2-methyl-2-[2-(propan-2-ylsulfamoyl)anilino]butanoic acid
CID 79790485
2-(pentan-3-ylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454588
2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 114142081
1-(2-bromophenyl)-3,3-dimethylbutan-2-one
CID 59617524

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethyl-2-oxobutyl)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-(3,3-dimethyl-2-oxobutyl)-N-propan-2-ylbenzenesulfonamide (CID 63199010) is 2-(3,3-dimethyl-2-oxobutyl)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-(3,3-dimethyl-2-oxobutyl)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-(3,3-dimethyl-2-oxobutyl)-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1ccccc1CC(=O)C(C)(C)C.
What is the InChIKey of 2-(3,3-dimethyl-2-oxobutyl)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is KARODWZMPBBEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-11(2)16-20(18,19)13-9-7-6-8-12(13)10-14(17)15(3,4)5/h6-9,11,16H,10H2,1-5H3.
What are the key properties of 2-(3,3-dimethyl-2-oxobutyl)-N-propan-2-ylbenzenesulfonamide?
2-(3,3-dimethyl-2-oxobutyl)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethyl-2-oxobutyl)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 63199010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).