N-(5-bromo-2-oxo-1H-pyridin-3-yl)butane-1-sulfonamide

C9H13BrN2O3S — CID 84569913

IUPACN-(5-bromo-2-oxo-1H-pyridin-3-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1cc(Br)c[nH]c1=O
InChIInChI=1S/C9H13BrN2O3S/c1-2-3-4-16(14,15)12-8-5-7(10)6-11-9(8)13/h5-6,12H,2-4H2,1H3,(H,11,13)
InChIKeyLVGFGPHMRSJHOM-UHFFFAOYSA-N
MW309.19 g/mol
LogP1.68
Rot. Bonds5

About N-(5-bromo-2-oxo-1H-pyridin-3-yl)butane-1-sulfonamide

N-(5-bromo-2-oxo-1H-pyridin-3-yl)butane-1-sulfonamide (PubChem CID 84569913) has the molecular formula C9H13BrN2O3S and a molecular weight of 309.19 g/mol. Its IUPAC name is N-(5-bromo-2-oxo-1H-pyridin-3-yl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-oxo-1H-pyridin-3-yl)butane-1-sulfonamide
PubChem CID84569913
Molecular FormulaC9H13BrN2O3S
Molecular Weight309.19 g/mol
Exact Mass307.98
IUPAC NameN-(5-bromo-2-oxo-1H-pyridin-3-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1cc(Br)c[nH]c1=O
InChIInChI=1S/C9H13BrN2O3S/c1-2-3-4-16(14,15)12-8-5-7(10)6-11-9(8)13/h5-6,12H,2-4H2,1H3,(H,11,13)
InChIKeyLVGFGPHMRSJHOM-UHFFFAOYSA-N
XLogP1.68
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.19
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-fluorophenyl)butane-1-sulfonamide
CID 6468897
4-bromo-2-(butylsulfonylamino)benzenecarbothioamide
CID 107798991
N-[2-(methanesulfonamido)phenyl]butane-1-sulfonamide
CID 113093433
N-(2,4-dichlorophenyl)butane-1-sulfonamide
CID 110757016
N-(5-bromo-2-oxo-1H-pyridin-3-yl)-5-chloro-2-methoxybenzenesulfonamide
CID 84563791
N-(5-chloro-2-methylphenyl)butane-1-sulfonamide
CID 6466028
N-(4-chloro-2-hydroxyphenyl)butane-1-sulfonamide
CID 81434097
N-[5-bromo-2-(dimethylamino)phenyl]propane-1-sulfonamide
CID 60651582
N-(2-aminophenyl)butane-1-sulfonamide
CID 16771337
N-(2-chloro-4-hydroxyphenyl)butane-1-sulfonamide
CID 64788344
N-(2-amino-4-bromophenyl)propane-1-sulfonamide
CID 29008435
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1-sulfonamide
CID 43550625

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-oxo-1H-pyridin-3-yl)butane-1-sulfonamide?
The IUPAC name of N-(5-bromo-2-oxo-1H-pyridin-3-yl)butane-1-sulfonamide (CID 84569913) is N-(5-bromo-2-oxo-1H-pyridin-3-yl)butane-1-sulfonamide.
What is the SMILES notation for N-(5-bromo-2-oxo-1H-pyridin-3-yl)butane-1-sulfonamide?
The canonical SMILES for N-(5-bromo-2-oxo-1H-pyridin-3-yl)butane-1-sulfonamide is CCCCS(=O)(=O)Nc1cc(Br)c[nH]c1=O.
What is the InChIKey of N-(5-bromo-2-oxo-1H-pyridin-3-yl)butane-1-sulfonamide?
The InChIKey is LVGFGPHMRSJHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O3S/c1-2-3-4-16(14,15)12-8-5-7(10)6-11-9(8)13/h5-6,12H,2-4H2,1H3,(H,11,13).
What are the key properties of N-(5-bromo-2-oxo-1H-pyridin-3-yl)butane-1-sulfonamide?
N-(5-bromo-2-oxo-1H-pyridin-3-yl)butane-1-sulfonamide has a molecular weight of 309.19 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-oxo-1H-pyridin-3-yl)butane-1-sulfonamide is sourced from PubChem (CID 84569913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).