[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-phenylmethanone;3-(benzenesulfonylmethyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-amine;3-(2-phenylethyl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine

C78H76N12O11S5 — CID 158251207

IUPAC[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-phenylmethanone;3-(benzenesulfonylmethyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-amine;3-(2-phenylethyl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)c3ccccc3)n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(CCc3ccccc3)n2)cc1.CS(=O)(=O)c1ccc(-c2cnc(N)c(/C=C/c3ccccc3)n2)cc1.CS(=O)(=O)c1ccc(-c2cnc(N)c(CS(=O)(=O)c3ccccc3)n2)cc1
InChIInChI=1S/C21H23N3O2S.C20H19N3O3S.C19H17N3O2S.C18H17N3O4S2/c1-15(2)27(25,26)18-11-9-17(10-12-18)20-14-23-21(22)19(24-20)13-8-16-6-4-3-5-7-16;1-13(2)27(25,26)16-10-8-14(9-11-16)17-12-22-20(21)18(23-17)19(24)15-6-4-3-5-7-15;1-25(23,24)16-10-8-15(9-11-16)18-13-21-19(20)17(22-18)12-7-14-5-3-2-4-6-14;1-26(22,23)14-9-7-13(8-10-14)16-11-20-18(19)17(21-16)12-27(24,25)15-5-3-2-4-6-15/h3-7,9-12,14-15H,8,13H2,1-2H3,(H2,22,23);3-13H,1-2H3,(H2,21,22);2-13H,1H3,(H2,20,21);2-11H,12H2,1H3,(H2,19,20)/b;;12-7+;
InChIKeyGGSUIMIXXJDBHW-OUDCWREOSA-N
MW1517.87 g/mol
LogP12.23
Rot. Bonds20

About [3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-phenylmethanone;3-(benzenesulfonylmethyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-amine;3-(2-phenylethyl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine

[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-phenylmethanone;3-(benzenesulfonylmethyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-amine;3-(2-phenylethyl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine (PubChem CID 158251207) has the molecular formula C78H76N12O11S5 and a molecular weight of 1517.87 g/mol. Its IUPAC name is [3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-phenylmethanone;3-(benzenesulfonylmethyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-amine;3-(2-phenylethyl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine.

Molecular Properties

Compound Name[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-phenylmethanone;3-(benzenesulfonylmethyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-amine;3-(2-phenylethyl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
PubChem CID158251207
Molecular FormulaC78H76N12O11S5
Molecular Weight1517.87 g/mol
Exact Mass1516.44
IUPAC Name[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-phenylmethanone;3-(benzenesulfonylmethyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-amine;3-(2-phenylethyl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)c3ccccc3)n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(CCc3ccccc3)n2)cc1.CS(=O)(=O)c1ccc(-c2cnc(N)c(/C=C/c3ccccc3)n2)cc1.CS(=O)(=O)c1ccc(-c2cnc(N)c(CS(=O)(=O)c3ccccc3)n2)cc1
InChIInChI=1S/C21H23N3O2S.C20H19N3O3S.C19H17N3O2S.C18H17N3O4S2/c1-15(2)27(25,26)18-11-9-17(10-12-18)20-14-23-21(22)19(24-20)13-8-16-6-4-3-5-7-16;1-13(2)27(25,26)16-10-8-14(9-11-16)17-12-22-20(21)18(23-17)19(24)15-6-4-3-5-7-15;1-25(23,24)16-10-8-15(9-11-16)18-13-21-19(20)17(22-18)12-7-14-5-3-2-4-6-14;1-26(22,23)14-9-7-13(8-10-14)16-11-20-18(19)17(21-16)12-27(24,25)15-5-3-2-4-6-15/h3-7,9-12,14-15H,8,13H2,1-2H3,(H2,22,23);3-13H,1-2H3,(H2,21,22);2-13H,1H3,(H2,20,21);2-11H,12H2,1H3,(H2,19,20)/b;;12-7+;
InChIKeyGGSUIMIXXJDBHW-OUDCWREOSA-N
XLogP12.23
TPSA394.97 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds20
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001517.87
LogP ≤ 512.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1023

Analyze [3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-phenylmethanone;3-(benzenesulfonylmethyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-amine;3-(2-phenylethyl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine with MolForge

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Related Compounds

1-[3-Amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-[diethoxyphosphoryl(fluoro)methyl]sulfonylphenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(diethoxyphosphorylmethylsulfonyl)-2-fluorophenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(2-diethoxyphosphorylpropan-2-ylsulfonyl)phenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(diethylphosphorylmethylsulfonyl)phenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(methyl-methylidene-oxo-lambda6-sulfanyl)phenyl]ethanone;1-[3-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]-2-[4-(diethoxyphosphorylmethylsulfonyl)phenyl]ethanone
CID 158973022
[3-Amino-6-(3-methylsulfonylphenyl)pyrazin-2-yl]-pyridin-3-ylmethanone
CID 44235793
[3-Amino-6-(5-methylsulfonyl-3-pyridinyl)pyrazin-2-yl]-pyridin-3-ylmethanone
CID 44235796
[3-Amino-6-(4-isopropylsulfonylphenyl)pyrazin-2-yl]-phenyl-methanone
CID 54597164
CID 58084383
CID 58084383
1-[3-Amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-2-phenylethanone
CID 140930856
3-[6-[2-[4-(acetylsulfamoyl)phenyl]acetyl]-5-aminopyrazin-2-yl]benzamide;4-[6-[2-[4-(acetylsulfamoyl)phenyl]acetyl]-5-aminopyrazin-2-yl]benzamide;N-[4-[2-[3-amino-6-[4-[(dimethylamino)methyl]phenyl]pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(dimethoxyphosphorylmethylsulfonyl)phenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(methylsulfonylmethyl)phenyl]ethanone;1-[4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]propan-2-one;[4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylmethyl-ethoxyphosphinic acid;N-[4-[2-[3-amino-6-(4-pyrrolidin-2-ylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide
CID 157064241
1-[3-Amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-[[ethoxy(ethyl)phosphoryl]methylsulfonyl]phenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-[[ethoxy(ethyl)phosphoryl]methylsulfonyl]phenyl]ethanone;methyl thiohypofluorite
CID 157095075
1-[3-Amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-[[ethoxy(ethyl)phosphoryl]methylsulfonyl]phenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-[[ethoxy(ethyl)phosphoryl]methylsulfonyl]phenyl]ethanone;methyl thiohypofluorite
CID 157095078
1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-[(1R)-1-dimethoxyphosphorylethyl]sulfonylphenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-[[ethoxy(methyl)phosphoryl]methylsulfonyl]phenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-[[ethoxy(methyl)phosphoryl]methylsulfonyl]phenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-[[ethyl(methoxy)phosphoryl]methylsulfonyl]phenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-[[ethyl(methoxy)phosphoryl]methylsulfonyl]phenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-[[methoxy(methyl)phosphoryl]methylsulfonyl]phenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-[[methoxy(methyl)phosphoryl]methylsulfonyl]phenyl]ethanone
CID 157103513
S-[2-[6-[(2-anilinoquinolin-6-yl)sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;2-(dimethylamino)-N-[6-[2-[[2-[5-[[2-(dimethylamino)quinolin-6-yl]sulfonylamino]-2-pyridinyl]-2-oxoethyl]disulfanyl]acetyl]-3-pyridinyl]quinoline-6-sulfonamide;2-[3-(dimethylamino)propylamino]-N-[6-[2-[[2-[5-[[2-[3-(dimethylamino)propylamino]quinolin-6-yl]sulfonylamino]-2-pyridinyl]-2-oxoethyl]disulfanyl]acetyl]-3-pyridinyl]quinoline-6-sulfonamide;2-[3-(dimethylamino)propyl-methylamino]-N-[6-[2-[[2-[5-[[2-[3-(dimethylamino)propyl-methylamino]quinolin-6-yl]sulfonylamino]-2-pyridinyl]-2-oxoethyl]disulfanyl]acetyl]-3-pyridinyl]quinoline-6-sulfonamide;S-[2-oxo-2-[6-[[2-(pyridin-3-ylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate
CID 157229301
N-[2-(6-aminopyridine-2-carbonyl)-5-chloro-3-pyridinyl]-4-tert-butylbenzenesulfonamide;4-tert-butyl-N-[5-chloro-2-[6-(methanesulfonamido)pyridine-2-carbonyl]-3-pyridinyl]benzenesulfonamide
CID 157284556

Frequently Asked Questions

What is the IUPAC name of [3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-phenylmethanone;3-(benzenesulfonylmethyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-amine;3-(2-phenylethyl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?
The IUPAC name of [3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-phenylmethanone;3-(benzenesulfonylmethyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-amine;3-(2-phenylethyl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine (CID 158251207) is [3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-phenylmethanone;3-(benzenesulfonylmethyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-amine;3-(2-phenylethyl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine.
What is the SMILES notation for [3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-phenylmethanone;3-(benzenesulfonylmethyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-amine;3-(2-phenylethyl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?
The canonical SMILES for [3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-phenylmethanone;3-(benzenesulfonylmethyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-amine;3-(2-phenylethyl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine is CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)c3ccccc3)n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(CCc3ccccc3)n2)cc1.CS(=O)(=O)c1ccc(-c2cnc(N)c(/C=C/c3ccccc3)n2)cc1.CS(=O)(=O)c1ccc(-c2cnc(N)c(CS(=O)(=O)c3ccccc3)n2)cc1.
What is the InChIKey of [3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-phenylmethanone;3-(benzenesulfonylmethyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-amine;3-(2-phenylethyl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?
The InChIKey is GGSUIMIXXJDBHW-OUDCWREOSA-N. The full InChI is InChI=1S/C21H23N3O2S.C20H19N3O3S.C19H17N3O2S.C18H17N3O4S2/c1-15(2)27(25,26)18-11-9-17(10-12-18)20-14-23-21(22)19(24-20)13-8-16-6-4-3-5-7-16;1-13(2)27(25,26)16-10-8-14(9-11-16)17-12-22-20(21)18(23-17)19(24)15-6-4-3-5-7-15;1-25(23,24)16-10-8-15(9-11-16)18-13-21-19(20)17(22-18)12-7-14-5-3-2-4-6-14;1-26(22,23)14-9-7-13(8-10-14)16-11-20-18(19)17(21-16)12-27(24,25)15-5-3-2-4-6-15/h3-7,9-12,14-15H,8,13H2,1-2H3,(H2,22,23);3-13H,1-2H3,(H2,21,22);2-13H,1H3,(H2,20,21);2-11H,12H2,1H3,(H2,19,20)/b;;12-7+;.
What are the key properties of [3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-phenylmethanone;3-(benzenesulfonylmethyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-amine;3-(2-phenylethyl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?
[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-phenylmethanone;3-(benzenesulfonylmethyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-amine;3-(2-phenylethyl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine has a molecular weight of 1517.87 g/mol, XLogP of 12.23, 20 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-phenylmethanone;3-(benzenesulfonylmethyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-amine;3-(2-phenylethyl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine is sourced from PubChem (CID 158251207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).