3-amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;N-[4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonyl-2-methylpropanamide;N-(4-aminophenyl)sulfonyl-2-methylpropanamide;2-methyl-N-(4-nitrophenyl)sulfonylpropanamide;2-methylpropanoyl chloride;4-nitrobenzenesulfonamide

C65H74ClN13O19S4 — CID 157401959

IUPAC3-amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;N-[4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonyl-2-methylpropanamide;N-(4-aminophenyl)sulfonyl-2-methylpropanamide;2-methyl-N-(4-nitrophenyl)sulfonylpropanamide;2-methylpropanoyl chloride;4-nitrobenzenesulfonamide
SMILESCC(C)C(=O)Cl.CC(C)C(=O)NS(=O)(=O)c1ccc(N)cc1.CC(C)C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1.Cc1ccc(-c2cnc(N)c(C(=O)Cc3ccc(S(=O)(=O)NC(=O)C(C)C)cc3)n2)cc1.Cc1ccc(-c2cnc(N)c(C(=O)O)n2)cc1.NS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C23H24N4O4S.C12H11N3O2.C10H12N2O5S.C10H14N2O3S.C6H6N2O4S.C4H7ClO/c1-14(2)23(29)27-32(30,31)18-10-6-16(7-11-18)12-20(28)21-22(24)25-13-19(26-21)17-8-4-15(3)5-9-17;1-7-2-4-8(5-3-7)9-6-14-11(13)10(15-9)12(16)17;1-7(2)10(13)11-18(16,17)9-5-3-8(4-6-9)12(14)15;1-7(2)10(13)12-16(14,15)9-5-3-8(11)4-6-9;7-13(11,12)6-3-1-5(2-4-6)8(9)10;1-3(2)4(5)6/h4-11,13-14H,12H2,1-3H3,(H2,24,25)(H,27,29);2-6H,1H3,(H2,13,14)(H,16,17);3-7H,1-2H3,(H,11,13);3-7H,11H2,1-2H3,(H,12,13);1-4H,(H2,7,11,12);3H,1-2H3
InChIKeyBNGVNTIOAUQAML-UHFFFAOYSA-N
MW1505.10 g/mol
LogP8.09
Rot. Bonds19

About 3-amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;N-[4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonyl-2-methylpropanamide;N-(4-aminophenyl)sulfonyl-2-methylpropanamide;2-methyl-N-(4-nitrophenyl)sulfonylpropanamide;2-methylpropanoyl chloride;4-nitrobenzenesulfonamide

3-amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;N-[4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonyl-2-methylpropanamide;N-(4-aminophenyl)sulfonyl-2-methylpropanamide;2-methyl-N-(4-nitrophenyl)sulfonylpropanamide;2-methylpropanoyl chloride;4-nitrobenzenesulfonamide (PubChem CID 157401959) has the molecular formula C65H74ClN13O19S4 and a molecular weight of 1505.10 g/mol. Its IUPAC name is 3-amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;N-[4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonyl-2-methylpropanamide;N-(4-aminophenyl)sulfonyl-2-methylpropanamide;2-methyl-N-(4-nitrophenyl)sulfonylpropanamide;2-methylpropanoyl chloride;4-nitrobenzenesulfonamide.

Molecular Properties

Compound Name3-amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;N-[4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonyl-2-methylpropanamide;N-(4-aminophenyl)sulfonyl-2-methylpropanamide;2-methyl-N-(4-nitrophenyl)sulfonylpropanamide;2-methylpropanoyl chloride;4-nitrobenzenesulfonamide
PubChem CID157401959
Molecular FormulaC65H74ClN13O19S4
Molecular Weight1505.10 g/mol
Exact Mass1503.38
IUPAC Name3-amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;N-[4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonyl-2-methylpropanamide;N-(4-aminophenyl)sulfonyl-2-methylpropanamide;2-methyl-N-(4-nitrophenyl)sulfonylpropanamide;2-methylpropanoyl chloride;4-nitrobenzenesulfonamide
SMILESCC(C)C(=O)Cl.CC(C)C(=O)NS(=O)(=O)c1ccc(N)cc1.CC(C)C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1.Cc1ccc(-c2cnc(N)c(C(=O)Cc3ccc(S(=O)(=O)NC(=O)C(C)C)cc3)n2)cc1.Cc1ccc(-c2cnc(N)c(C(=O)O)n2)cc1.NS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C23H24N4O4S.C12H11N3O2.C10H12N2O5S.C10H14N2O3S.C6H6N2O4S.C4H7ClO/c1-14(2)23(29)27-32(30,31)18-10-6-16(7-11-18)12-20(28)21-22(24)25-13-19(26-21)17-8-4-15(3)5-9-17;1-7-2-4-8(5-3-7)9-6-14-11(13)10(15-9)12(16)17;1-7(2)10(13)11-18(16,17)9-5-3-8(4-6-9)12(14)15;1-7(2)10(13)12-16(14,15)9-5-3-8(11)4-6-9;7-13(11,12)6-3-1-5(2-4-6)8(9)10;1-3(2)4(5)6/h4-11,13-14H,12H2,1-3H3,(H2,24,25)(H,27,29);2-6H,1H3,(H2,13,14)(H,16,17);3-7H,1-2H3,(H,11,13);3-7H,11H2,1-2H3,(H,12,13);1-4H,(H2,7,11,12);3H,1-2H3
InChIKeyBNGVNTIOAUQAML-UHFFFAOYSA-N
XLogP8.09
TPSA537.22 Ų
H-Bond Donors8
H-Bond Acceptors25
Rotatable Bonds19
Heavy Atoms102
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001505.10
LogP ≤ 58.09
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Magnesium;3-amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(dimethylphosphorylmethylsulfonyl)phenyl]ethanone;carbanide;dichlorophosphorylmethyl 4-methylbenzenesulfonate;1-dimethylphosphorylethane;1-(dimethylphosphorylmethylsulfanyl)-4-nitrobenzene;4-(dimethylphosphorylmethylsulfonyl)aniline;1-(dimethylphosphorylmethylsulfonyl)-4-nitrobenzene;1-[ethoxy(ethyl)phosphoryl]oxyethane;4-nitrobenzenethiol;bromide
CID 157209669
4-amino-N-(3-methyloxetan-3-yl)benzenesulfonamide;3-amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]-N-(3-methyloxetan-3-yl)benzenesulfonamide;3-methyloxetan-3-amine;N-(3-methyloxetan-3-yl)-4-nitrobenzenesulfonamide;4-nitrobenzenesulfonyl chloride
CID 157274554
3-amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]-N-methylsulfonylbenzenesulfonamide;4-amino-N-methylsulfonylbenzenesulfonamide
CID 157289385
4-Amino-2-fluorobenzenesulfonamide;3-amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]-2-fluorobenzenesulfonamide
CID 157328397
3-amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;N-[4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonyl-3-phenylmethoxypropanamide;N-(4-aminophenyl)sulfonyl-3-phenylmethoxypropanamide;4-nitrobenzenesulfonamide;N-(4-nitrophenyl)sulfonyl-3-phenylmethoxypropanamide;3-phenylmethoxypropanoic acid
CID 157504935
3-Amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;[4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]methanesulfonamide;(4-aminophenyl)methanesulfonamide
CID 157594177
N-(4-amino-2-fluorophenyl)sulfonylacetamide;3-amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;N-[4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]-2-fluorophenyl]sulfonylacetamide
CID 157647099
3-Amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(methylsulfonimidoyl)phenyl]ethanone;4-(methylsulfonimidoyl)aniline
CID 158212484
3-Amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(oxetan-3-ylmethylsulfonyl)phenyl]ethanone;4-(oxetan-3-ylmethylsulfonyl)aniline
CID 158264674
N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-methylphenyl)pyrazine-2-carboxamide;3-amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;N-(4-aminophenyl)sulfonylacetamide
CID 158300982
3-Amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(methylsulfonimidoyl)phenyl]ethanone;tert-butyl 2-(4-methylsulfanylphenyl)acetate;tert-butyl 2-[4-(methylsulfonimidoyl)phenyl]acetate;4-methylsulfanylaniline;4-(methylsulfonimidoyl)aniline
CID 158315690
4-amino-N-(3-methyloxetan-3-yl)benzenesulfonamide;3-amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]-N-(3-methyloxetan-3-yl)benzenesulfonamide
CID 158412353

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;N-[4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonyl-2-methylpropanamide;N-(4-aminophenyl)sulfonyl-2-methylpropanamide;2-methyl-N-(4-nitrophenyl)sulfonylpropanamide;2-methylpropanoyl chloride;4-nitrobenzenesulfonamide?
The IUPAC name of 3-amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;N-[4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonyl-2-methylpropanamide;N-(4-aminophenyl)sulfonyl-2-methylpropanamide;2-methyl-N-(4-nitrophenyl)sulfonylpropanamide;2-methylpropanoyl chloride;4-nitrobenzenesulfonamide (CID 157401959) is 3-amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;N-[4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonyl-2-methylpropanamide;N-(4-aminophenyl)sulfonyl-2-methylpropanamide;2-methyl-N-(4-nitrophenyl)sulfonylpropanamide;2-methylpropanoyl chloride;4-nitrobenzenesulfonamide.
What is the SMILES notation for 3-amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;N-[4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonyl-2-methylpropanamide;N-(4-aminophenyl)sulfonyl-2-methylpropanamide;2-methyl-N-(4-nitrophenyl)sulfonylpropanamide;2-methylpropanoyl chloride;4-nitrobenzenesulfonamide?
The canonical SMILES for 3-amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;N-[4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonyl-2-methylpropanamide;N-(4-aminophenyl)sulfonyl-2-methylpropanamide;2-methyl-N-(4-nitrophenyl)sulfonylpropanamide;2-methylpropanoyl chloride;4-nitrobenzenesulfonamide is CC(C)C(=O)Cl.CC(C)C(=O)NS(=O)(=O)c1ccc(N)cc1.CC(C)C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1.Cc1ccc(-c2cnc(N)c(C(=O)Cc3ccc(S(=O)(=O)NC(=O)C(C)C)cc3)n2)cc1.Cc1ccc(-c2cnc(N)c(C(=O)O)n2)cc1.NS(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3-amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;N-[4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonyl-2-methylpropanamide;N-(4-aminophenyl)sulfonyl-2-methylpropanamide;2-methyl-N-(4-nitrophenyl)sulfonylpropanamide;2-methylpropanoyl chloride;4-nitrobenzenesulfonamide?
The InChIKey is BNGVNTIOAUQAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4S.C12H11N3O2.C10H12N2O5S.C10H14N2O3S.C6H6N2O4S.C4H7ClO/c1-14(2)23(29)27-32(30,31)18-10-6-16(7-11-18)12-20(28)21-22(24)25-13-19(26-21)17-8-4-15(3)5-9-17;1-7-2-4-8(5-3-7)9-6-14-11(13)10(15-9)12(16)17;1-7(2)10(13)11-18(16,17)9-5-3-8(4-6-9)12(14)15;1-7(2)10(13)12-16(14,15)9-5-3-8(11)4-6-9;7-13(11,12)6-3-1-5(2-4-6)8(9)10;1-3(2)4(5)6/h4-11,13-14H,12H2,1-3H3,(H2,24,25)(H,27,29);2-6H,1H3,(H2,13,14)(H,16,17);3-7H,1-2H3,(H,11,13);3-7H,11H2,1-2H3,(H,12,13);1-4H,(H2,7,11,12);3H,1-2H3.
What are the key properties of 3-amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;N-[4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonyl-2-methylpropanamide;N-(4-aminophenyl)sulfonyl-2-methylpropanamide;2-methyl-N-(4-nitrophenyl)sulfonylpropanamide;2-methylpropanoyl chloride;4-nitrobenzenesulfonamide?
3-amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;N-[4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonyl-2-methylpropanamide;N-(4-aminophenyl)sulfonyl-2-methylpropanamide;2-methyl-N-(4-nitrophenyl)sulfonylpropanamide;2-methylpropanoyl chloride;4-nitrobenzenesulfonamide has a molecular weight of 1505.10 g/mol, XLogP of 8.09, 19 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;N-[4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonyl-2-methylpropanamide;N-(4-aminophenyl)sulfonyl-2-methylpropanamide;2-methyl-N-(4-nitrophenyl)sulfonylpropanamide;2-methylpropanoyl chloride;4-nitrobenzenesulfonamide is sourced from PubChem (CID 157401959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).