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

C14H19ClN2O3S — CID 804119

IUPAC4-chloro-N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
SMILESCN(CC(=O)N1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O3S/c1-16(11-14(18)17-9-3-2-4-10-17)21(19,20)13-7-5-12(15)6-8-13/h5-8H,2-4,9-11H2,1H3
InChIKeyAAUVKDRWMLIFOM-UHFFFAOYSA-N
MW330.84 g/mol
LogP1.97
Rot. Bonds4

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

4-chloro-N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide (PubChem CID 804119) has the molecular formula C14H19ClN2O3S and a molecular weight of 330.84 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
PubChem CID804119
Molecular FormulaC14H19ClN2O3S
Molecular Weight330.84 g/mol
Exact Mass330.08
IUPAC Name4-chloro-N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
SMILESCN(CC(=O)N1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O3S/c1-16(11-14(18)17-9-3-2-4-10-17)21(19,20)13-7-5-12(15)6-8-13/h5-8H,2-4,9-11H2,1H3
InChIKeyAAUVKDRWMLIFOM-UHFFFAOYSA-N
XLogP1.97
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide (CID 804119) is 4-chloro-N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide is CN(CC(=O)N1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide?
The InChIKey is AAUVKDRWMLIFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3S/c1-16(11-14(18)17-9-3-2-4-10-17)21(19,20)13-7-5-12(15)6-8-13/h5-8H,2-4,9-11H2,1H3.
What are the key properties of 4-chloro-N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide?
4-chloro-N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide has a molecular weight of 330.84 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 804119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).