5-bromo-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-3-sulfonamide;hydrochloride

C12H18BrClN4O3S — CID 119967553

IUPAC5-bromo-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-3-sulfonamide;hydrochloride
SMILESCN(CC(=O)N1CCNCC1)S(=O)(=O)c1cncc(Br)c1.Cl
InChIInChI=1S/C12H17BrN4O3S.ClH/c1-16(9-12(18)17-4-2-14-3-5-17)21(19,20)11-6-10(13)7-15-8-11;/h6-8,14H,2-5,9H2,1H3;1H
InChIKeyUIXDYTGVTONVFV-UHFFFAOYSA-N
MW413.73 g/mol
LogP0.32
Rot. Bonds4

About 5-bromo-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-3-sulfonamide;hydrochloride

5-bromo-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-3-sulfonamide;hydrochloride (PubChem CID 119967553) has the molecular formula C12H18BrClN4O3S and a molecular weight of 413.73 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-3-sulfonamide;hydrochloride.

Molecular Properties

Compound Name5-bromo-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-3-sulfonamide;hydrochloride
PubChem CID119967553
Molecular FormulaC12H18BrClN4O3S
Molecular Weight413.73 g/mol
Exact Mass412.00
IUPAC Name5-bromo-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-3-sulfonamide;hydrochloride
SMILESCN(CC(=O)N1CCNCC1)S(=O)(=O)c1cncc(Br)c1.Cl
InChIInChI=1S/C12H17BrN4O3S.ClH/c1-16(9-12(18)17-4-2-14-3-5-17)21(19,20)11-6-10(13)7-15-8-11;/h6-8,14H,2-5,9H2,1H3;1H
InChIKeyUIXDYTGVTONVFV-UHFFFAOYSA-N
XLogP0.32
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.73
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N,3-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide;hydrochloride
CID 119967420
3,5-dichloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 119967371
N-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-N-methylpyridine-3-sulfonamide
CID 119414940
5-bromo-N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide;hydrochloride
CID 119967382
4-iodo-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 61018949
3-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 61018552
2-bromo-4-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide;hydrochloride
CID 119967511
2,6-difluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide;hydrochloride
CID 119967328
5-bromo-4-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide
CID 80577583
2,4,6-trifluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 119967473
N,1,2-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)imidazole-4-sulfonamide
CID 62061381
methyl 4-[methyl-(2-oxo-2-piperazin-1-ylethyl)sulfamoyl]benzoate
CID 119967426

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-3-sulfonamide;hydrochloride?
The IUPAC name of 5-bromo-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-3-sulfonamide;hydrochloride (CID 119967553) is 5-bromo-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-3-sulfonamide;hydrochloride.
What is the SMILES notation for 5-bromo-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-3-sulfonamide;hydrochloride?
The canonical SMILES for 5-bromo-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-3-sulfonamide;hydrochloride is CN(CC(=O)N1CCNCC1)S(=O)(=O)c1cncc(Br)c1.Cl.
What is the InChIKey of 5-bromo-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-3-sulfonamide;hydrochloride?
The InChIKey is UIXDYTGVTONVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN4O3S.ClH/c1-16(9-12(18)17-4-2-14-3-5-17)21(19,20)11-6-10(13)7-15-8-11;/h6-8,14H,2-5,9H2,1H3;1H.
What are the key properties of 5-bromo-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-3-sulfonamide;hydrochloride?
5-bromo-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-3-sulfonamide;hydrochloride has a molecular weight of 413.73 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-3-sulfonamide;hydrochloride is sourced from PubChem (CID 119967553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).