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

C11H13FN2O3S — CID 49457165

IUPAC3-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide
SMILESO=C1NCCCC1NS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C11H13FN2O3S/c12-8-3-1-4-9(7-8)18(16,17)14-10-5-2-6-13-11(10)15/h1,3-4,7,10,14H,2,5-6H2,(H,13,15)
InChIKeyKDVUKMNRJOZRSD-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.38
Rot. Bonds3

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

3-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide (PubChem CID 49457165) has the molecular formula C11H13FN2O3S and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide
PubChem CID49457165
Molecular FormulaC11H13FN2O3S
Molecular Weight272.30 g/mol
Exact Mass272.06
IUPAC Name3-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide
SMILESO=C1NCCCC1NS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C11H13FN2O3S/c12-8-3-1-4-9(7-8)18(16,17)14-10-5-2-6-13-11(10)15/h1,3-4,7,10,14H,2,5-6H2,(H,13,15)
InChIKeyKDVUKMNRJOZRSD-UHFFFAOYSA-N
XLogP0.38
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 49457209
3-[(2-oxopiperidin-3-yl)sulfamoyl]benzoic acid
CID 62091993
4-bromo-3-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 103697534
3-[1-(methylamino)ethyl]-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 62093994
2-fluoro-5-[(2-oxopiperidin-3-yl)sulfamoyl]benzenecarbothioamide
CID 63288833
N-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 54761931
3-amino-4-methyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 62092532
5-fluoro-2-methyl-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide
CID 6976095
N-cyclooctyl-3-fluorobenzenesulfonamide
CID 26948335
3-[[3-(3-fluorophenyl)cyclobutyl]amino]piperidin-2-one
CID 62092486
3-[(2-oxopiperidin-3-yl)sulfamoyl]-N-pyridin-3-ylbenzamide
CID 74249952
3-amino-5-fluoro-4-methyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 116791797

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide?
The IUPAC name of 3-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide (CID 49457165) is 3-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide is O=C1NCCCC1NS(=O)(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide?
The InChIKey is KDVUKMNRJOZRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3S/c12-8-3-1-4-9(7-8)18(16,17)14-10-5-2-6-13-11(10)15/h1,3-4,7,10,14H,2,5-6H2,(H,13,15).
What are the key properties of 3-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide?
3-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide has a molecular weight of 272.30 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 49457165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).