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

C12H13Cl3N4O3S — CID 68857071

IUPAC4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide;chloroform
SMILESCOc1nccnc1NS(=O)(=O)c1ccc(N)cc1.ClC(Cl)Cl
InChIInChI=1S/C11H12N4O3S.CHCl3/c1-18-11-10(13-6-7-14-11)15-19(16,17)9-4-2-8(12)3-5-9;2-1(3)4/h2-7H,12H2,1H3,(H,13,15);1H
InChIKeyXLMGWQTZXGOIOY-UHFFFAOYSA-N
MW399.69 g/mol
LogP2.85
Rot. Bonds4

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

4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide;chloroform (PubChem CID 68857071) has the molecular formula C12H13Cl3N4O3S and a molecular weight of 399.69 g/mol. Its IUPAC name is 4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide;chloroform.

Molecular Properties

Compound Name4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide;chloroform
PubChem CID68857071
Molecular FormulaC12H13Cl3N4O3S
Molecular Weight399.69 g/mol
Exact Mass397.98
IUPAC Name4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide;chloroform
SMILESCOc1nccnc1NS(=O)(=O)c1ccc(N)cc1.ClC(Cl)Cl
InChIInChI=1S/C11H12N4O3S.CHCl3/c1-18-11-10(13-6-7-14-11)15-19(16,17)9-4-2-8(12)3-5-9;2-1(3)4/h2-7H,12H2,1H3,(H,13,15);1H
InChIKeyXLMGWQTZXGOIOY-UHFFFAOYSA-N
XLogP2.85
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.69
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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;ethanol
CID 68855747
4-amino-N-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide
CID 17134
N-(3-methoxypyrazin-2-yl)-4-nitrobenzenesulfonamide
CID 101043457
N-(3-methoxypyrazin-2-yl)-4-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)benzenesulfonamide
CID 3637770
1-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-(4-methylphenyl)urea
CID 3424492
N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-4-propan-2-ylbenzamide
CID 54783017
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
N-(3-chloropyrazin-2-yl)-4-methoxybenzenesulfonamide
CID 102989975
2-cyano-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide
CID 168520143
N-[[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]carbamothioyl]-4-propan-2-ylbenzamide
CID 54783087

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide;chloroform?
The IUPAC name of 4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide;chloroform (CID 68857071) is 4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide;chloroform.
What is the SMILES notation for 4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide;chloroform?
The canonical SMILES for 4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide;chloroform is COc1nccnc1NS(=O)(=O)c1ccc(N)cc1.ClC(Cl)Cl.
What is the InChIKey of 4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide;chloroform?
The InChIKey is XLMGWQTZXGOIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S.CHCl3/c1-18-11-10(13-6-7-14-11)15-19(16,17)9-4-2-8(12)3-5-9;2-1(3)4/h2-7H,12H2,1H3,(H,13,15);1H.
What are the key properties of 4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide;chloroform?
4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide;chloroform has a molecular weight of 399.69 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide;chloroform is sourced from PubChem (CID 68857071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).