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

C11H12BrFN2O3S — CID 103697534

IUPAC4-bromo-3-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide
SMILESO=C1NCCCC1NS(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C11H12BrFN2O3S/c12-8-4-3-7(6-9(8)13)19(17,18)15-10-2-1-5-14-11(10)16/h3-4,6,10,15H,1-2,5H2,(H,14,16)
InChIKeyKKRMXMFFRJZAPT-UHFFFAOYSA-N
MW351.20 g/mol
LogP1.15
Rot. Bonds3

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

4-bromo-3-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide (PubChem CID 103697534) has the molecular formula C11H12BrFN2O3S and a molecular weight of 351.20 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide
PubChem CID103697534
Molecular FormulaC11H12BrFN2O3S
Molecular Weight351.20 g/mol
Exact Mass349.97
IUPAC Name4-bromo-3-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide
SMILESO=C1NCCCC1NS(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C11H12BrFN2O3S/c12-8-4-3-7(6-9(8)13)19(17,18)15-10-2-1-5-14-11(10)16/h3-4,6,10,15H,1-2,5H2,(H,14,16)
InChIKeyKKRMXMFFRJZAPT-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

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Related Compounds

3-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 49457165
2-fluoro-5-[(2-oxopiperidin-3-yl)sulfamoyl]benzenecarbothioamide
CID 63288833
4-bromo-2-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 116528562
3-amino-5-fluoro-4-methyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 116791797
N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 49457209
N-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 54761931
3-amino-4-methyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 62092532
4-bromo-N-cyclooctyl-3-fluorobenzenesulfonamide
CID 107649910
4-(2-aminoethyl)-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 79185146
5-bromo-N-(2-oxopiperidin-3-yl)pyridine-3-sulfonamide
CID 62094279
4-bromo-3-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 103828887
N-(2-oxopiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 49457204

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-3-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide (CID 103697534) is 4-bromo-3-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-3-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide is O=C1NCCCC1NS(=O)(=O)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-3-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide?
The InChIKey is KKRMXMFFRJZAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFN2O3S/c12-8-4-3-7(6-9(8)13)19(17,18)15-10-2-1-5-14-11(10)16/h3-4,6,10,15H,1-2,5H2,(H,14,16).
What are the key properties of 4-bromo-3-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide?
4-bromo-3-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-3-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 103697534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).