3-acetyl-N-[2-(2-oxopiperidin-1-yl)ethyl]benzenesulfonamide

C15H20N2O4S — CID 110722868

IUPAC3-acetyl-N-[2-(2-oxopiperidin-1-yl)ethyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCCN2CCCCC2=O)c1
InChIInChI=1S/C15H20N2O4S/c1-12(18)13-5-4-6-14(11-13)22(20,21)16-8-10-17-9-3-2-7-15(17)19/h4-6,11,16H,2-3,7-10H2,1H3
InChIKeyDYAWLDGAPHACRZ-UHFFFAOYSA-N
MW324.40 g/mol
LogP1.18
Rot. Bonds6

About 3-acetyl-N-[2-(2-oxopiperidin-1-yl)ethyl]benzenesulfonamide

3-acetyl-N-[2-(2-oxopiperidin-1-yl)ethyl]benzenesulfonamide (PubChem CID 110722868) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is 3-acetyl-N-[2-(2-oxopiperidin-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-[2-(2-oxopiperidin-1-yl)ethyl]benzenesulfonamide
PubChem CID110722868
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Name3-acetyl-N-[2-(2-oxopiperidin-1-yl)ethyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCCN2CCCCC2=O)c1
InChIInChI=1S/C15H20N2O4S/c1-12(18)13-5-4-6-14(11-13)22(20,21)16-8-10-17-9-3-2-7-15(17)19/h4-6,11,16H,2-3,7-10H2,1H3
InChIKeyDYAWLDGAPHACRZ-UHFFFAOYSA-N
XLogP1.18
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-[2-(2-oxoazepan-1-yl)ethyl]benzenesulfonamide
CID 39667448
3-acetyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 78774480
N-[2-(2-oxoazepan-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 39667463
3-acetamido-N-[2-(2-oxopiperidin-1-yl)ethyl]benzamide
CID 110743652
3-acetyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43420736
3-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 2573541
3-acetyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 43501553
3-acetyl-N-(2-aminoethyl)benzenesulfonamide;hydrochloride
CID 119960312
2-methyl-5-[3-(2-oxoazepan-1-yl)propylsulfamoyl]benzamide
CID 46457679
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide;hydrochloride
CID 119465414
3-[(3-acetylphenyl)sulfonylamino]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide
CID 46467072
3-acetyl-N-(4-methylsulfanylbutyl)benzenesulfonamide
CID 115638737

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[2-(2-oxopiperidin-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-acetyl-N-[2-(2-oxopiperidin-1-yl)ethyl]benzenesulfonamide (CID 110722868) is 3-acetyl-N-[2-(2-oxopiperidin-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-[2-(2-oxopiperidin-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-[2-(2-oxopiperidin-1-yl)ethyl]benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)NCCN2CCCCC2=O)c1.
What is the InChIKey of 3-acetyl-N-[2-(2-oxopiperidin-1-yl)ethyl]benzenesulfonamide?
The InChIKey is DYAWLDGAPHACRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-12(18)13-5-4-6-14(11-13)22(20,21)16-8-10-17-9-3-2-7-15(17)19/h4-6,11,16H,2-3,7-10H2,1H3.
What are the key properties of 3-acetyl-N-[2-(2-oxopiperidin-1-yl)ethyl]benzenesulfonamide?
3-acetyl-N-[2-(2-oxopiperidin-1-yl)ethyl]benzenesulfonamide has a molecular weight of 324.40 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[2-(2-oxopiperidin-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110722868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).