N-(2-oxopiperidin-3-yl)benzenesulfonamide

C11H14N2O3S — CID 49457209

IUPACN-(2-oxopiperidin-3-yl)benzenesulfonamide
SMILESO=C1NCCCC1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H14N2O3S/c14-11-10(7-4-8-12-11)13-17(15,16)9-5-2-1-3-6-9/h1-3,5-6,10,13H,4,7-8H2,(H,12,14)
InChIKeyBLLYHFFTULIGEB-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.24
Rot. Bonds3

About N-(2-oxopiperidin-3-yl)benzenesulfonamide

N-(2-oxopiperidin-3-yl)benzenesulfonamide (PubChem CID 49457209) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is N-(2-oxopiperidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-oxopiperidin-3-yl)benzenesulfonamide
PubChem CID49457209
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC NameN-(2-oxopiperidin-3-yl)benzenesulfonamide
SMILESO=C1NCCCC1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H14N2O3S/c14-11-10(7-4-8-12-11)13-17(15,16)9-5-2-1-3-6-9/h1-3,5-6,10,13H,4,7-8H2,(H,12,14)
InChIKeyBLLYHFFTULIGEB-UHFFFAOYSA-N
XLogP0.24
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 49457165
3-[(2-oxopiperidin-3-yl)sulfamoyl]benzoic acid
CID 62091993
N-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 54761931
3-[1-(methylamino)ethyl]-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 62093994
4-(2-aminoethyl)-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 79185146
4-(cyanomethyl)-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 79195462
N-(2-oxoazepan-3-yl)-4-pyrazol-1-ylbenzenesulfonamide
CID 3770703
2-bromo-N-[(3S)-2-oxoazepan-3-yl]benzenesulfonamide
CID 51979852
2-bromo-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide
CID 51979851
4-bromo-3-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 103697534
3-amino-4-methyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 62092532
5-bromo-N-(2-oxopiperidin-3-yl)pyridine-3-sulfonamide
CID 62094279

Frequently Asked Questions

What is the IUPAC name of N-(2-oxopiperidin-3-yl)benzenesulfonamide?
The IUPAC name of N-(2-oxopiperidin-3-yl)benzenesulfonamide (CID 49457209) is N-(2-oxopiperidin-3-yl)benzenesulfonamide.
What is the SMILES notation for N-(2-oxopiperidin-3-yl)benzenesulfonamide?
The canonical SMILES for N-(2-oxopiperidin-3-yl)benzenesulfonamide is O=C1NCCCC1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(2-oxopiperidin-3-yl)benzenesulfonamide?
The InChIKey is BLLYHFFTULIGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c14-11-10(7-4-8-12-11)13-17(15,16)9-5-2-1-3-6-9/h1-3,5-6,10,13H,4,7-8H2,(H,12,14).
What are the key properties of N-(2-oxopiperidin-3-yl)benzenesulfonamide?
N-(2-oxopiperidin-3-yl)benzenesulfonamide has a molecular weight of 254.31 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxopiperidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 49457209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).