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

C11H12BrFN2O3S — CID 116528562

IUPAC4-bromo-2-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide
SMILESO=C1NCCCC1NS(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C11H12BrFN2O3S/c12-7-3-4-10(8(13)6-7)19(17,18)15-9-2-1-5-14-11(9)16/h3-4,6,9,15H,1-2,5H2,(H,14,16)
InChIKeyMXIXTMCPLLEHKF-UHFFFAOYSA-N
MW351.20 g/mol
LogP1.15
Rot. Bonds3

About 4-bromo-2-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide

4-bromo-2-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide (PubChem CID 116528562) has the molecular formula C11H12BrFN2O3S and a molecular weight of 351.20 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide
PubChem CID116528562
Molecular FormulaC11H12BrFN2O3S
Molecular Weight351.20 g/mol
Exact Mass349.97
IUPAC Name4-bromo-2-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide
SMILESO=C1NCCCC1NS(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C11H12BrFN2O3S/c12-7-3-4-10(8(13)6-7)19(17,18)15-9-2-1-5-14-11(9)16/h3-4,6,9,15H,1-2,5H2,(H,14,16)
InChIKeyMXIXTMCPLLEHKF-UHFFFAOYSA-N
XLogP1.15
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-bromo-2-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-3-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 103697534
4-bromo-2,6-dichloro-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 49149515
2-chloro-4-methyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 49457104
4-bromo-N-cyclooctyl-2-fluorobenzenesulfonamide
CID 116528049
2-bromo-N-[(3S)-2-oxoazepan-3-yl]benzenesulfonamide
CID 51979852
2-bromo-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide
CID 51979851
4-bromo-2-fluoro-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 116527714
3-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 49457165
5-fluoro-2-methyl-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide
CID 6976095
4-bromo-2-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 116528616
5-bromo-N-(2-oxopiperidin-3-yl)pyridine-3-sulfonamide
CID 62094279
3-[(4-bromo-2-fluorophenyl)methylamino]azepan-2-one
CID 43688042

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide (CID 116528562) is 4-bromo-2-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide is O=C1NCCCC1NS(=O)(=O)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide?
The InChIKey is MXIXTMCPLLEHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFN2O3S/c12-7-3-4-10(8(13)6-7)19(17,18)15-9-2-1-5-14-11(9)16/h3-4,6,9,15H,1-2,5H2,(H,14,16).
What are the key properties of 4-bromo-2-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide?
4-bromo-2-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide has a molecular weight of 351.20 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 116528562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).