N-(5-bromopyrazin-2-yl)-4-ethoxybenzenesulfonamide

C12H12BrN3O3S — CID 115693688

IUPACN-(5-bromopyrazin-2-yl)-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cnc(Br)cn2)cc1
InChIInChI=1S/C12H12BrN3O3S/c1-2-19-9-3-5-10(6-4-9)20(17,18)16-12-8-14-11(13)7-15-12/h3-8H,2H2,1H3,(H,15,16)
InChIKeyNBTOWJHFKQTRMZ-UHFFFAOYSA-N
MW358.22 g/mol
LogP2.44
Rot. Bonds5

About N-(5-bromopyrazin-2-yl)-4-ethoxybenzenesulfonamide

N-(5-bromopyrazin-2-yl)-4-ethoxybenzenesulfonamide (PubChem CID 115693688) has the molecular formula C12H12BrN3O3S and a molecular weight of 358.22 g/mol. Its IUPAC name is N-(5-bromopyrazin-2-yl)-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromopyrazin-2-yl)-4-ethoxybenzenesulfonamide
PubChem CID115693688
Molecular FormulaC12H12BrN3O3S
Molecular Weight358.22 g/mol
Exact Mass356.98
IUPAC NameN-(5-bromopyrazin-2-yl)-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cnc(Br)cn2)cc1
InChIInChI=1S/C12H12BrN3O3S/c1-2-19-9-3-5-10(6-4-9)20(17,18)16-12-8-14-11(13)7-15-12/h3-8H,2H2,1H3,(H,15,16)
InChIKeyNBTOWJHFKQTRMZ-UHFFFAOYSA-N
XLogP2.44
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.22
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-bromopyrazin-2-yl)-4-ethoxy-3-methylbenzenesulfonamide
CID 115733544
N-(6-bromo-2-pyridinyl)-4-ethoxybenzenesulfonamide
CID 115631079
N-[5-(3,5-dimethylanilino)-2-pyridinyl]-4-ethoxybenzenesulfonamide
CID 113032235
N-[5-(cyclopentylamino)-2-pyridinyl]-4-ethoxybenzenesulfonamide
CID 113024551
N-(6-chloro-2-pyridinyl)-4-ethoxybenzenesulfonamide
CID 104821273
4-ethoxy-N-[5-(3-methylbutylamino)-2-pyridinyl]benzenesulfonamide
CID 113030370
4-[(4-ethoxyphenyl)sulfonylamino]-N-pyridin-2-ylbenzenesulfonamide
CID 92674441
N-[6-(3,5-dimethylanilino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide
CID 113046481
N-(4,6-dimethylpyrimidin-2-yl)-4-ethoxybenzenesulfonamide
CID 22202469
N-(3-bromo-5-methylphenyl)-4-ethoxybenzenesulfonamide
CID 110604794
4-ethoxy-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104620964
N-[6-(cyclopropylamino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide
CID 113038166

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopyrazin-2-yl)-4-ethoxybenzenesulfonamide?
The IUPAC name of N-(5-bromopyrazin-2-yl)-4-ethoxybenzenesulfonamide (CID 115693688) is N-(5-bromopyrazin-2-yl)-4-ethoxybenzenesulfonamide.
What is the SMILES notation for N-(5-bromopyrazin-2-yl)-4-ethoxybenzenesulfonamide?
The canonical SMILES for N-(5-bromopyrazin-2-yl)-4-ethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2cnc(Br)cn2)cc1.
What is the InChIKey of N-(5-bromopyrazin-2-yl)-4-ethoxybenzenesulfonamide?
The InChIKey is NBTOWJHFKQTRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O3S/c1-2-19-9-3-5-10(6-4-9)20(17,18)16-12-8-14-11(13)7-15-12/h3-8H,2H2,1H3,(H,15,16).
What are the key properties of N-(5-bromopyrazin-2-yl)-4-ethoxybenzenesulfonamide?
N-(5-bromopyrazin-2-yl)-4-ethoxybenzenesulfonamide has a molecular weight of 358.22 g/mol, XLogP of 2.44, 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-ethoxybenzenesulfonamide is sourced from PubChem (CID 115693688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).