4-bromo-N-(6-oxopiperidin-3-yl)benzenesulfonamide

C11H13BrN2O3S — CID 62490790

IUPAC4-bromo-N-(6-oxopiperidin-3-yl)benzenesulfonamide
SMILESO=C1CCC(NS(=O)(=O)c2ccc(Br)cc2)CN1
InChIInChI=1S/C11H13BrN2O3S/c12-8-1-4-10(5-2-8)18(16,17)14-9-3-6-11(15)13-7-9/h1-2,4-5,9,14H,3,6-7H2,(H,13,15)
InChIKeyLFLBCCFWHHUMCU-UHFFFAOYSA-N
MW333.21 g/mol
LogP1.01
Rot. Bonds3

About 4-bromo-N-(6-oxopiperidin-3-yl)benzenesulfonamide

4-bromo-N-(6-oxopiperidin-3-yl)benzenesulfonamide (PubChem CID 62490790) has the molecular formula C11H13BrN2O3S and a molecular weight of 333.21 g/mol. Its IUPAC name is 4-bromo-N-(6-oxopiperidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(6-oxopiperidin-3-yl)benzenesulfonamide
PubChem CID62490790
Molecular FormulaC11H13BrN2O3S
Molecular Weight333.21 g/mol
Exact Mass331.98
IUPAC Name4-bromo-N-(6-oxopiperidin-3-yl)benzenesulfonamide
SMILESO=C1CCC(NS(=O)(=O)c2ccc(Br)cc2)CN1
InChIInChI=1S/C11H13BrN2O3S/c12-8-1-4-10(5-2-8)18(16,17)14-9-3-6-11(15)13-7-9/h1-2,4-5,9,14H,3,6-7H2,(H,13,15)
InChIKeyLFLBCCFWHHUMCU-UHFFFAOYSA-N
XLogP1.01
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.21
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(methylamino)ethyl]-N-(6-oxopiperidin-3-yl)benzenesulfonamide
CID 63662849
4-(3-methylbutyl)-N-[(3R)-6-oxopiperidin-3-yl]benzenesulfonamide
CID 95628967
N-(6-oxopiperidin-3-yl)pyridine-3-sulfonamide
CID 63662802
3-N-(6-oxopiperidin-3-yl)benzene-1,3-disulfonamide
CID 62491456
6-hydrazinyl-N-(6-oxopiperidin-3-yl)pyridine-3-sulfonamide
CID 63661604
2-(methylamino)-N-(6-oxopiperidin-3-yl)pyridine-4-sulfonamide
CID 63661990
2-chloro-4-methyl-N-(6-oxopiperidin-3-yl)benzenesulfonamide
CID 62491455
N-(6-oxopiperidin-3-yl)naphthalene-1-sulfonamide
CID 115684185
4-bromo-N-(1,1-dioxothian-4-yl)benzenesulfonamide
CID 59744414
5-[(6-oxopiperidin-3-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 63662251
2-(aminomethyl)-N-(6-oxopiperidin-3-yl)benzenesulfonamide
CID 63661206
2-amino-N-(6-oxopiperidin-3-yl)pyridine-3-sulfonamide
CID 63663044

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(6-oxopiperidin-3-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(6-oxopiperidin-3-yl)benzenesulfonamide (CID 62490790) is 4-bromo-N-(6-oxopiperidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(6-oxopiperidin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(6-oxopiperidin-3-yl)benzenesulfonamide is O=C1CCC(NS(=O)(=O)c2ccc(Br)cc2)CN1.
What is the InChIKey of 4-bromo-N-(6-oxopiperidin-3-yl)benzenesulfonamide?
The InChIKey is LFLBCCFWHHUMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O3S/c12-8-1-4-10(5-2-8)18(16,17)14-9-3-6-11(15)13-7-9/h1-2,4-5,9,14H,3,6-7H2,(H,13,15).
What are the key properties of 4-bromo-N-(6-oxopiperidin-3-yl)benzenesulfonamide?
4-bromo-N-(6-oxopiperidin-3-yl)benzenesulfonamide has a molecular weight of 333.21 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(6-oxopiperidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 62490790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).