4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide;ethanol

C13H18N4O4S — CID 68855747

IUPAC4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide;ethanol
SMILESCCO.COc1nccnc1NS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C11H12N4O3S.C2H6O/c1-18-11-10(13-6-7-14-11)15-19(16,17)9-4-2-8(12)3-5-9;1-2-3/h2-7H,12H2,1H3,(H,13,15);3H,2H2,1H3
InChIKeyCMLUJHBCBNXLEQ-UHFFFAOYSA-N
MW326.38 g/mol
LogP0.87
Rot. Bonds4

About 4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide;ethanol

4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide;ethanol (PubChem CID 68855747) has the molecular formula C13H18N4O4S and a molecular weight of 326.38 g/mol. Its IUPAC name is 4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide;ethanol.

Molecular Properties

Compound Name4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide;ethanol
PubChem CID68855747
Molecular FormulaC13H18N4O4S
Molecular Weight326.38 g/mol
Exact Mass326.10
IUPAC Name4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide;ethanol
SMILESCCO.COc1nccnc1NS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C11H12N4O3S.C2H6O/c1-18-11-10(13-6-7-14-11)15-19(16,17)9-4-2-8(12)3-5-9;1-2-3/h2-7H,12H2,1H3,(H,13,15);3H,2H2,1H3
InChIKeyCMLUJHBCBNXLEQ-UHFFFAOYSA-N
XLogP0.87
TPSA127.43 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide
CID 170923254
4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide;chloroform
CID 68857071
4-amino-N-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide
CID 17134
N-(3-methoxypyrazin-2-yl)-4-nitrobenzenesulfonamide
CID 101043457
1-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-(4-methylphenyl)urea
CID 3424492
2-cyano-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide
CID 168520143
N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
CID 54782642
2-(3,5-dimethylphenoxy)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide
CID 54782757
2-methoxy-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]benzamide
CID 3563880
N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-4-propan-2-ylbenzamide
CID 54783017
N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide
CID 54782625
N-[[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]carbamothioyl]-2-methylpropanamide
CID 54783157

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide;ethanol?
The IUPAC name of 4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide;ethanol (CID 68855747) is 4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide;ethanol.
What is the SMILES notation for 4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide;ethanol?
The canonical SMILES for 4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide;ethanol is CCO.COc1nccnc1NS(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide;ethanol?
The InChIKey is CMLUJHBCBNXLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S.C2H6O/c1-18-11-10(13-6-7-14-11)15-19(16,17)9-4-2-8(12)3-5-9;1-2-3/h2-7H,12H2,1H3,(H,13,15);3H,2H2,1H3.
What are the key properties of 4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide;ethanol?
4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide;ethanol has a molecular weight of 326.38 g/mol, XLogP of 0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide;ethanol is sourced from PubChem (CID 68855747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).