4-methyl-N-(1-oxo-1-piperidin-1-ylbutan-2-yl)benzenesulfonamide

C16H24N2O3S — CID 2938589

IUPAC4-methyl-N-(1-oxo-1-piperidin-1-ylbutan-2-yl)benzenesulfonamide
SMILESCCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCCCC1
InChIInChI=1S/C16H24N2O3S/c1-3-15(16(19)18-11-5-4-6-12-18)17-22(20,21)14-9-7-13(2)8-10-14/h7-10,15,17H,3-6,11-12H2,1-2H3
InChIKeyKCUNCRQFGIOATB-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.06
Rot. Bonds5

About 4-methyl-N-(1-oxo-1-piperidin-1-ylbutan-2-yl)benzenesulfonamide

4-methyl-N-(1-oxo-1-piperidin-1-ylbutan-2-yl)benzenesulfonamide (PubChem CID 2938589) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 4-methyl-N-(1-oxo-1-piperidin-1-ylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(1-oxo-1-piperidin-1-ylbutan-2-yl)benzenesulfonamide
PubChem CID2938589
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name4-methyl-N-(1-oxo-1-piperidin-1-ylbutan-2-yl)benzenesulfonamide
SMILESCCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCCCC1
InChIInChI=1S/C16H24N2O3S/c1-3-15(16(19)18-11-5-4-6-12-18)17-22(20,21)14-9-7-13(2)8-10-14/h7-10,15,17H,3-6,11-12H2,1-2H3
InChIKeyKCUNCRQFGIOATB-UHFFFAOYSA-N
XLogP2.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-oxo-1-piperidin-1-ylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(1-oxo-1-piperidin-1-ylbutan-2-yl)benzenesulfonamide (CID 2938589) is 4-methyl-N-(1-oxo-1-piperidin-1-ylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(1-oxo-1-piperidin-1-ylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(1-oxo-1-piperidin-1-ylbutan-2-yl)benzenesulfonamide is CCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCCCC1.
What is the InChIKey of 4-methyl-N-(1-oxo-1-piperidin-1-ylbutan-2-yl)benzenesulfonamide?
The InChIKey is KCUNCRQFGIOATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-3-15(16(19)18-11-5-4-6-12-18)17-22(20,21)14-9-7-13(2)8-10-14/h7-10,15,17H,3-6,11-12H2,1-2H3.
What are the key properties of 4-methyl-N-(1-oxo-1-piperidin-1-ylbutan-2-yl)benzenesulfonamide?
4-methyl-N-(1-oxo-1-piperidin-1-ylbutan-2-yl)benzenesulfonamide has a molecular weight of 324.45 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-oxo-1-piperidin-1-ylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 2938589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).