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

C33H36N12O9S3 — CID 170923254

IUPAC4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide
SMILESCOc1nccnc1NS(=O)(=O)c1ccc(N)cc1.COc1nccnc1NS(=O)(=O)c1ccc(N)cc1.COc1nccnc1NS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/3C11H12N4O3S/c3*1-18-11-10(13-6-7-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h3*2-7H,12H2,1H3,(H,13,15)
InChIKeyQNEZCZGFZKVBLU-UHFFFAOYSA-N
MW840.93 g/mol
LogP2.60
Rot. Bonds12

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

4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide (PubChem CID 170923254) has the molecular formula C33H36N12O9S3 and a molecular weight of 840.93 g/mol. Its IUPAC name is 4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide
PubChem CID170923254
Molecular FormulaC33H36N12O9S3
Molecular Weight840.93 g/mol
Exact Mass840.19
IUPAC Name4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide
SMILESCOc1nccnc1NS(=O)(=O)c1ccc(N)cc1.COc1nccnc1NS(=O)(=O)c1ccc(N)cc1.COc1nccnc1NS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/3C11H12N4O3S/c3*1-18-11-10(13-6-7-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h3*2-7H,12H2,1H3,(H,13,15)
InChIKeyQNEZCZGFZKVBLU-UHFFFAOYSA-N
XLogP2.60
TPSA321.60 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500840.93
LogP ≤ 52.60
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide;chloroform
CID 68857071
4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide;ethanol
CID 68855747
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
N-(3-methoxypyrazin-2-yl)-4-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)benzenesulfonamide
CID 3637770
N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-4-propan-2-ylbenzamide
CID 54783017
2-cyano-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide
CID 168520143
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]carbamothioyl]-2-methylpropanamide
CID 54783157
2-chloro-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]benzamide
CID 22693790

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide (CID 170923254) is 4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide is COc1nccnc1NS(=O)(=O)c1ccc(N)cc1.COc1nccnc1NS(=O)(=O)c1ccc(N)cc1.COc1nccnc1NS(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide?
The InChIKey is QNEZCZGFZKVBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/3C11H12N4O3S/c3*1-18-11-10(13-6-7-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h3*2-7H,12H2,1H3,(H,13,15).
What are the key properties of 4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide?
4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide has a molecular weight of 840.93 g/mol, XLogP of 2.60, 12 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide is sourced from PubChem (CID 170923254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).