N-(5-bromopyrazin-2-yl)-4-ethoxy-3-methylbenzenesulfonamide

C13H14BrN3O3S — CID 115733544

IUPACN-(5-bromopyrazin-2-yl)-4-ethoxy-3-methylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cnc(Br)cn2)cc1C
InChIInChI=1S/C13H14BrN3O3S/c1-3-20-11-5-4-10(6-9(11)2)21(18,19)17-13-8-15-12(14)7-16-13/h4-8H,3H2,1-2H3,(H,16,17)
InChIKeyOYXSOWWIXLHTOW-UHFFFAOYSA-N
MW372.24 g/mol
LogP2.75
Rot. Bonds5

About N-(5-bromopyrazin-2-yl)-4-ethoxy-3-methylbenzenesulfonamide

N-(5-bromopyrazin-2-yl)-4-ethoxy-3-methylbenzenesulfonamide (PubChem CID 115733544) has the molecular formula C13H14BrN3O3S and a molecular weight of 372.24 g/mol. Its IUPAC name is N-(5-bromopyrazin-2-yl)-4-ethoxy-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromopyrazin-2-yl)-4-ethoxy-3-methylbenzenesulfonamide
PubChem CID115733544
Molecular FormulaC13H14BrN3O3S
Molecular Weight372.24 g/mol
Exact Mass370.99
IUPAC NameN-(5-bromopyrazin-2-yl)-4-ethoxy-3-methylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cnc(Br)cn2)cc1C
InChIInChI=1S/C13H14BrN3O3S/c1-3-20-11-5-4-10(6-9(11)2)21(18,19)17-13-8-15-12(14)7-16-13/h4-8H,3H2,1-2H3,(H,16,17)
InChIKeyOYXSOWWIXLHTOW-UHFFFAOYSA-N
XLogP2.75
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.24
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-3-methyl-N-(5-methylpyrazin-2-yl)benzenesulfonamide
CID 154781020
N-(5-bromopyrazin-2-yl)-4-ethoxybenzenesulfonamide
CID 115693688
N-(3,5-dimethylphenyl)-4-ethoxy-3-methylbenzenesulfonamide
CID 3265391
4-ethoxy-3-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 19132693
N-(2,6-difluorophenyl)-4-ethoxy-3-methylbenzenesulfonamide
CID 39825088
4-ethoxy-3-methyl-N-(2-methylphenyl)benzenesulfonamide
CID 4214214
sodium 4-ethoxy-3-methylbenzenesulfonate
CID 112705045
4-ethoxy-3-methyl-N-quinolin-3-ylbenzenesulfonamide
CID 66485862
4-ethoxy-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-methylbenzenesulfonamide
CID 122303147
N-(5-chloro-2-pyridinyl)-3-methyl-4-pentoxybenzenesulfonamide
CID 35202531
4-bromo-N-(5-chloropyrazin-2-yl)-3-methylbenzenesulfonamide
CID 103580611
3,4-diethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 9067995

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopyrazin-2-yl)-4-ethoxy-3-methylbenzenesulfonamide?
The IUPAC name of N-(5-bromopyrazin-2-yl)-4-ethoxy-3-methylbenzenesulfonamide (CID 115733544) is N-(5-bromopyrazin-2-yl)-4-ethoxy-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-bromopyrazin-2-yl)-4-ethoxy-3-methylbenzenesulfonamide?
The canonical SMILES for N-(5-bromopyrazin-2-yl)-4-ethoxy-3-methylbenzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2cnc(Br)cn2)cc1C.
What is the InChIKey of N-(5-bromopyrazin-2-yl)-4-ethoxy-3-methylbenzenesulfonamide?
The InChIKey is OYXSOWWIXLHTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O3S/c1-3-20-11-5-4-10(6-9(11)2)21(18,19)17-13-8-15-12(14)7-16-13/h4-8H,3H2,1-2H3,(H,16,17).
What are the key properties of N-(5-bromopyrazin-2-yl)-4-ethoxy-3-methylbenzenesulfonamide?
N-(5-bromopyrazin-2-yl)-4-ethoxy-3-methylbenzenesulfonamide has a molecular weight of 372.24 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopyrazin-2-yl)-4-ethoxy-3-methylbenzenesulfonamide is sourced from PubChem (CID 115733544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).