N-(5-bromo-3-methoxypyrazin-2-yl)benzenesulfonamide

C11H10BrN3O3S — CID 59168178

IUPACN-(5-bromo-3-methoxypyrazin-2-yl)benzenesulfonamide
SMILESCOc1nc(Br)cnc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H10BrN3O3S/c1-18-11-10(13-7-9(12)14-11)15-19(16,17)8-5-3-2-4-6-8/h2-7H,1H3,(H,13,15)
InChIKeyOFPUUWQRPOXEQY-UHFFFAOYSA-N
MW344.19 g/mol
LogP2.05
Rot. Bonds4

About N-(5-bromo-3-methoxypyrazin-2-yl)benzenesulfonamide

N-(5-bromo-3-methoxypyrazin-2-yl)benzenesulfonamide (PubChem CID 59168178) has the molecular formula C11H10BrN3O3S and a molecular weight of 344.19 g/mol. Its IUPAC name is N-(5-bromo-3-methoxypyrazin-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-3-methoxypyrazin-2-yl)benzenesulfonamide
PubChem CID59168178
Molecular FormulaC11H10BrN3O3S
Molecular Weight344.19 g/mol
Exact Mass342.96
IUPAC NameN-(5-bromo-3-methoxypyrazin-2-yl)benzenesulfonamide
SMILESCOc1nc(Br)cnc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H10BrN3O3S/c1-18-11-10(13-7-9(12)14-11)15-19(16,17)8-5-3-2-4-6-8/h2-7H,1H3,(H,13,15)
InChIKeyOFPUUWQRPOXEQY-UHFFFAOYSA-N
XLogP2.05
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.19
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-methoxypyrazin-2-yl)benzenesulfonamide?
The IUPAC name of N-(5-bromo-3-methoxypyrazin-2-yl)benzenesulfonamide (CID 59168178) is N-(5-bromo-3-methoxypyrazin-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(5-bromo-3-methoxypyrazin-2-yl)benzenesulfonamide?
The canonical SMILES for N-(5-bromo-3-methoxypyrazin-2-yl)benzenesulfonamide is COc1nc(Br)cnc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(5-bromo-3-methoxypyrazin-2-yl)benzenesulfonamide?
The InChIKey is OFPUUWQRPOXEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O3S/c1-18-11-10(13-7-9(12)14-11)15-19(16,17)8-5-3-2-4-6-8/h2-7H,1H3,(H,13,15).
What are the key properties of N-(5-bromo-3-methoxypyrazin-2-yl)benzenesulfonamide?
N-(5-bromo-3-methoxypyrazin-2-yl)benzenesulfonamide has a molecular weight of 344.19 g/mol, XLogP of 2.05, 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)benzenesulfonamide is sourced from PubChem (CID 59168178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).