4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide

C14H20N2O3S — CID 751041

IUPAC4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)N2CCCCC2)cc1
InChIInChI=1S/C14H20N2O3S/c1-12-5-7-13(8-6-12)20(18,19)15-11-14(17)16-9-3-2-4-10-16/h5-8,15H,2-4,9-11H2,1H3
InChIKeyKMUVIXVGVWDDPQ-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.29
Rot. Bonds4

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

4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide (PubChem CID 751041) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
PubChem CID751041
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)N2CCCCC2)cc1
InChIInChI=1S/C14H20N2O3S/c1-12-5-7-13(8-6-12)20(18,19)15-11-14(17)16-9-3-2-4-10-16/h5-8,15H,2-4,9-11H2,1H3
InChIKeyKMUVIXVGVWDDPQ-UHFFFAOYSA-N
XLogP1.29
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide (CID 751041) is 4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NCC(=O)N2CCCCC2)cc1.
What is the InChIKey of 4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide?
The InChIKey is KMUVIXVGVWDDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-12-5-7-13(8-6-12)20(18,19)15-11-14(17)16-9-3-2-4-10-16/h5-8,15H,2-4,9-11H2,1H3.
What are the key properties of 4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide?
4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide has a molecular weight of 296.39 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 751041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).