N-(5-bromo-3-methoxypyrazin-2-yl)-3,5-dichlorobenzenesulfonamide

C11H8BrCl2N3O3S — CID 10309892

IUPACN-(5-bromo-3-methoxypyrazin-2-yl)-3,5-dichlorobenzenesulfonamide
SMILESCOc1nc(Br)cnc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H8BrCl2N3O3S/c1-20-11-10(15-5-9(12)16-11)17-21(18,19)8-3-6(13)2-7(14)4-8/h2-5H,1H3,(H,15,17)
InChIKeyZFPLJZKWRIHEGH-UHFFFAOYSA-N
MW413.08 g/mol
LogP3.36
Rot. Bonds4

About N-(5-bromo-3-methoxypyrazin-2-yl)-3,5-dichlorobenzenesulfonamide

N-(5-bromo-3-methoxypyrazin-2-yl)-3,5-dichlorobenzenesulfonamide (PubChem CID 10309892) has the molecular formula C11H8BrCl2N3O3S and a molecular weight of 413.08 g/mol. Its IUPAC name is N-(5-bromo-3-methoxypyrazin-2-yl)-3,5-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-3-methoxypyrazin-2-yl)-3,5-dichlorobenzenesulfonamide
PubChem CID10309892
Molecular FormulaC11H8BrCl2N3O3S
Molecular Weight413.08 g/mol
Exact Mass410.88
IUPAC NameN-(5-bromo-3-methoxypyrazin-2-yl)-3,5-dichlorobenzenesulfonamide
SMILESCOc1nc(Br)cnc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H8BrCl2N3O3S/c1-20-11-10(15-5-9(12)16-11)17-21(18,19)8-3-6(13)2-7(14)4-8/h2-5H,1H3,(H,15,17)
InChIKeyZFPLJZKWRIHEGH-UHFFFAOYSA-N
XLogP3.36
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.08
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dichloro-N-(3-methoxy-2-pyridinyl)benzenesulfonamide
CID 154807827
5-chloro-N-(3-methoxy-5-methylpyrazin-2-yl)-2-sulfanylbenzenesulfonamide
CID 91100992
2,3-dichloro-N-(3-methoxy-5-methylsulfonylpyrazin-2-yl)benzenesulfonamide
CID 59168213
CID 88884928
CID 88884928
6-chloro-N-(3,5-dibromopyrazin-2-yl)pyridine-3-sulfonamide
CID 114074106
N-[5-bromo-3-[(4-ethylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide
CID 23075822
N-(5-bromo-3-phenylmethoxypyrazin-2-yl)-4-chloro-3-nitrobenzenesulfonamide
CID 23075716
N-[5-[(5-bromo-3-methoxypyrazin-2-yl)sulfamoyl]naphthalen-1-yl]-N-phenylmethoxyformamide
CID 57221955
3,4,5-trichloro-N-(3-methoxy-5-methylpyrazin-2-yl)thiophene-2-sulfonamide
CID 11257746
N-[5-bromo-3-[(Z)-4-methoxy-2-methylbut-3-enoxy]pyrazin-2-yl]-2,3-dichlorobenzenesulfonamide;ethane
CID 142264030
3,5-dichloro-N-isoquinolin-1-ylbenzenesulfonamide
CID 3792494
N-[2-[(5-bromo-3-methoxypyrazin-2-yl)amino]ethyl]acetamide
CID 156822535

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-methoxypyrazin-2-yl)-3,5-dichlorobenzenesulfonamide?
The IUPAC name of N-(5-bromo-3-methoxypyrazin-2-yl)-3,5-dichlorobenzenesulfonamide (CID 10309892) is N-(5-bromo-3-methoxypyrazin-2-yl)-3,5-dichlorobenzenesulfonamide.
What is the SMILES notation for N-(5-bromo-3-methoxypyrazin-2-yl)-3,5-dichlorobenzenesulfonamide?
The canonical SMILES for N-(5-bromo-3-methoxypyrazin-2-yl)-3,5-dichlorobenzenesulfonamide is COc1nc(Br)cnc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(5-bromo-3-methoxypyrazin-2-yl)-3,5-dichlorobenzenesulfonamide?
The InChIKey is ZFPLJZKWRIHEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrCl2N3O3S/c1-20-11-10(15-5-9(12)16-11)17-21(18,19)8-3-6(13)2-7(14)4-8/h2-5H,1H3,(H,15,17).
What are the key properties of N-(5-bromo-3-methoxypyrazin-2-yl)-3,5-dichlorobenzenesulfonamide?
N-(5-bromo-3-methoxypyrazin-2-yl)-3,5-dichlorobenzenesulfonamide has a molecular weight of 413.08 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-methoxypyrazin-2-yl)-3,5-dichlorobenzenesulfonamide is sourced from PubChem (CID 10309892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).