N-(6-ethoxypyrazin-2-yl)benzenesulfonamide

C12H13N3O3S — CID 155403187

IUPACN-(6-ethoxypyrazin-2-yl)benzenesulfonamide
SMILESCCOc1cncc(NS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C12H13N3O3S/c1-2-18-12-9-13-8-11(14-12)15-19(16,17)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,14,15)
InChIKeyNCAWSTHWXWQQRY-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.68
Rot. Bonds5

About N-(6-ethoxypyrazin-2-yl)benzenesulfonamide

N-(6-ethoxypyrazin-2-yl)benzenesulfonamide (PubChem CID 155403187) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is N-(6-ethoxypyrazin-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(6-ethoxypyrazin-2-yl)benzenesulfonamide
PubChem CID155403187
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC NameN-(6-ethoxypyrazin-2-yl)benzenesulfonamide
SMILESCCOc1cncc(NS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C12H13N3O3S/c1-2-18-12-9-13-8-11(14-12)15-19(16,17)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,14,15)
InChIKeyNCAWSTHWXWQQRY-UHFFFAOYSA-N
XLogP1.68
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-chloro-3-phenylpropan-2-yl)-6-ethoxypyrazin-2-amine
CID 65029274
N-(6-methoxy-2-methylpyrimidin-4-yl)benzenesulfonamide
CID 25035779
N-[6-(2-ethoxyanilino)-3-pyridinyl]benzenesulfonamide
CID 113019644
6-ethoxy-N-(4-methylsulfonylbutan-2-yl)pyrazin-2-amine
CID 133375005
N-(6-ethoxy-2-pyridinyl)methanesulfonamide
CID 86799055
N-(5-propoxypyrimidin-2-yl)benzenesulfonamide
CID 23275504
2-[1-[(6-ethoxypyrazin-2-yl)amino]cyclohexyl]acetic acid
CID 64701575
N-(6-chloro-2-pyridinyl)-4-ethoxybenzenesulfonamide
CID 104821273
N-(6-bromo-2-pyridinyl)-4-ethoxybenzenesulfonamide
CID 115631079
N-[6-(ethylamino)-3-pyridinyl]benzenesulfonamide
CID 71038447
1-[[(6-ethoxypyrazin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115450341
4-[(4-ethoxyphenyl)sulfonylamino]-N-pyridin-2-ylbenzenesulfonamide
CID 92674441

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxypyrazin-2-yl)benzenesulfonamide?
The IUPAC name of N-(6-ethoxypyrazin-2-yl)benzenesulfonamide (CID 155403187) is N-(6-ethoxypyrazin-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(6-ethoxypyrazin-2-yl)benzenesulfonamide?
The canonical SMILES for N-(6-ethoxypyrazin-2-yl)benzenesulfonamide is CCOc1cncc(NS(=O)(=O)c2ccccc2)n1.
What is the InChIKey of N-(6-ethoxypyrazin-2-yl)benzenesulfonamide?
The InChIKey is NCAWSTHWXWQQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-2-18-12-9-13-8-11(14-12)15-19(16,17)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,14,15).
What are the key properties of N-(6-ethoxypyrazin-2-yl)benzenesulfonamide?
N-(6-ethoxypyrazin-2-yl)benzenesulfonamide has a molecular weight of 279.32 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxypyrazin-2-yl)benzenesulfonamide is sourced from PubChem (CID 155403187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).