4-(ethylsulfonylamino)-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;4-[(4-fluorophenyl)sulfonylamino]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide

C64H55FN18O9S3 — CID 159182472

IUPAC4-(ethylsulfonylamino)-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;4-[(4-fluorophenyl)sulfonylamino]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
SMILESCCS(=O)(=O)Nc1ccc(C(=O)Nc2nc(C)nc(-c3ccccn3)n2)cc1.Cc1nc(NC(=O)c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)nc(-c2ccccn2)n1.Cc1nc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)nc(-c2ccccn2)n1
InChIInChI=1S/C24H20N6O3S.C22H17FN6O3S.C18H18N6O3S/c1-17-26-22(21-9-5-6-15-25-21)28-24(27-17)29-23(31)19-10-12-20(13-11-19)30-34(32,33)16-14-18-7-3-2-4-8-18;1-14-25-20(19-4-2-3-13-24-19)27-22(26-14)28-21(30)15-5-9-17(10-6-15)29-33(31,32)18-11-7-16(23)8-12-18;1-3-28(26,27)24-14-9-7-13(8-10-14)17(25)23-18-21-12(2)20-16(22-18)15-6-4-5-11-19-15/h2-16,30H,1H3,(H,26,27,28,29,31);2-13,29H,1H3,(H,25,26,27,28,30);4-11,24H,3H2,1-2H3,(H,20,21,22,23,25)/b16-14+;;
InChIKeyKNBOPQLWFRKNHC-UPONXUSQSA-N
MW1335.46 g/mol
LogP9.60
Rot. Bonds19

About 4-(ethylsulfonylamino)-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;4-[(4-fluorophenyl)sulfonylamino]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide

4-(ethylsulfonylamino)-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;4-[(4-fluorophenyl)sulfonylamino]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide (PubChem CID 159182472) has the molecular formula C64H55FN18O9S3 and a molecular weight of 1335.46 g/mol. Its IUPAC name is 4-(ethylsulfonylamino)-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;4-[(4-fluorophenyl)sulfonylamino]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide.

Molecular Properties

Compound Name4-(ethylsulfonylamino)-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;4-[(4-fluorophenyl)sulfonylamino]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
PubChem CID159182472
Molecular FormulaC64H55FN18O9S3
Molecular Weight1335.46 g/mol
Exact Mass1334.35
IUPAC Name4-(ethylsulfonylamino)-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;4-[(4-fluorophenyl)sulfonylamino]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
SMILESCCS(=O)(=O)Nc1ccc(C(=O)Nc2nc(C)nc(-c3ccccn3)n2)cc1.Cc1nc(NC(=O)c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)nc(-c2ccccn2)n1.Cc1nc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)nc(-c2ccccn2)n1
InChIInChI=1S/C24H20N6O3S.C22H17FN6O3S.C18H18N6O3S/c1-17-26-22(21-9-5-6-15-25-21)28-24(27-17)29-23(31)19-10-12-20(13-11-19)30-34(32,33)16-14-18-7-3-2-4-8-18;1-14-25-20(19-4-2-3-13-24-19)27-22(26-14)28-21(30)15-5-9-17(10-6-15)29-33(31,32)18-11-7-16(23)8-12-18;1-3-28(26,27)24-14-9-7-13(8-10-14)17(25)23-18-21-12(2)20-16(22-18)15-6-4-5-11-19-15/h2-16,30H,1H3,(H,26,27,28,29,31);2-13,29H,1H3,(H,25,26,27,28,30);4-11,24H,3H2,1-2H3,(H,20,21,22,23,25)/b16-14+;;
InChIKeyKNBOPQLWFRKNHC-UPONXUSQSA-N
XLogP9.60
TPSA380.49 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds19
Heavy Atoms95
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001335.46
LogP ≤ 59.60
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Analyze 4-(ethylsulfonylamino)-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;4-[(4-fluorophenyl)sulfonylamino]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide with MolForge

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Related Compounds

4-[(4-fluorophenyl)sulfonylamino]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide
CID 49838351
4-[[4-[[2-(ethylsulfonylamino)-3-pyridinyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(pyridin-2-ylmethyl)benzamide
CID 67099913
N-methyl-4-[(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)sulfamoyl]benzamide;4-(1-methylpyrazol-3-yl)-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzenesulfonamide;4-[(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)sulfamoyl]benzamide;4-[(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)sulfamoyl]-N-(trifluoromethyl)benzamide
CID 157407730
4-[[4-[[(1S,2S)-2-(cyclopropanecarbonylamino)cyclohexyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[4-[[(1S,2S)-2-(methanesulfonamido)cyclohexyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N-methyl-N-(1-methylpiperidin-4-yl)-4-[[4-[[(1S,2S)-2-(2-methylpropanoylamino)cyclohexyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-methyl-N-(1-methylpiperidin-4-yl)-4-[[4-[[(1S,2S)-2-(propanoylamino)cyclohexyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 159224604
[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-3,5-difluoropiperidin-1-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-(2-cyclopropylpyrimidin-5-yl)methanone;1-[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-2-[6-(trifluoromethyl)-2-pyridinyl]ethanone;4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-N-pyridin-2-ylpiperidine-1-carboxamide;(1R)-1-(1-pyrimidin-5-ylsulfonylpiperidin-4-yl)-2-(2,4,5-trifluorophenyl)ethanamine;(1R)-1-[1-[[6-(trifluoromethyl)-2-pyridinyl]methylsulfonyl]piperidin-4-yl]-2-(2,4,5-trifluorophenyl)ethanamine
CID 159253707
4-acetamido-2-chloro-N-[4-pyridin-2-yl-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]benzamide;N-[4-(benzylamino)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2-chloro-4-methylsulfonylbenzamide;2-chloro-4-methylsulfonyl-N-[4-pyridin-2-yl-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]benzamide
CID 159798620
N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-2-(4-methylsulfonylphenyl)acetamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-2-(4-nitrophenyl)acetamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-2-(4-nitrophenyl)propanamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-2-[4-(trifluoromethylsulfonyl)phenyl]acetamide
CID 160380130
N,N-dimethyl-4-[[4-[2-[3-(methyl-methylidene-oxo-lambda6-sulfanyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N,N-dimethyl-3-[[4-[2-[3-(methyl-methylidene-oxo-lambda6-sulfanyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzenesulfonamide;N,N-dimethyl-3-[[4-[2-[2-[methyl-(methyl-methylidene-oxo-lambda6-sulfanyl)amino]-3-pyridinyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzenesulfonamide;4-[2-[2-[methyl-(methyl-methylidene-oxo-lambda6-sulfanyl)amino]-3-pyridinyl]ethyl]-N-(2-methylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 160639785
4-aminobenzamide;N-[3-(aminomethyl)pyrazin-2-yl]-N-(trideuteriomethyl)methanesulfonamide;4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;2,4-dichloro-5-(trifluoromethyl)pyrimidine;4-[[4-[[3-[methylsulfonyl(trideuteriomethyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 164982289
4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[[4-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-yl]amino]phenyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[[4-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-yl]amino]phenyl]-N-(trifluoromethylsulfonyl)benzamide
CID 167639824
CID 168321339
CID 168321339
N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(phenylsulfamoyl)benzamide
CID 49838349

Frequently Asked Questions

What is the IUPAC name of 4-(ethylsulfonylamino)-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;4-[(4-fluorophenyl)sulfonylamino]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide?
The IUPAC name of 4-(ethylsulfonylamino)-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;4-[(4-fluorophenyl)sulfonylamino]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide (CID 159182472) is 4-(ethylsulfonylamino)-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;4-[(4-fluorophenyl)sulfonylamino]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide.
What is the SMILES notation for 4-(ethylsulfonylamino)-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;4-[(4-fluorophenyl)sulfonylamino]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide?
The canonical SMILES for 4-(ethylsulfonylamino)-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;4-[(4-fluorophenyl)sulfonylamino]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide is CCS(=O)(=O)Nc1ccc(C(=O)Nc2nc(C)nc(-c3ccccn3)n2)cc1.Cc1nc(NC(=O)c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)nc(-c2ccccn2)n1.Cc1nc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)nc(-c2ccccn2)n1.
What is the InChIKey of 4-(ethylsulfonylamino)-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;4-[(4-fluorophenyl)sulfonylamino]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide?
The InChIKey is KNBOPQLWFRKNHC-UPONXUSQSA-N. The full InChI is InChI=1S/C24H20N6O3S.C22H17FN6O3S.C18H18N6O3S/c1-17-26-22(21-9-5-6-15-25-21)28-24(27-17)29-23(31)19-10-12-20(13-11-19)30-34(32,33)16-14-18-7-3-2-4-8-18;1-14-25-20(19-4-2-3-13-24-19)27-22(26-14)28-21(30)15-5-9-17(10-6-15)29-33(31,32)18-11-7-16(23)8-12-18;1-3-28(26,27)24-14-9-7-13(8-10-14)17(25)23-18-21-12(2)20-16(22-18)15-6-4-5-11-19-15/h2-16,30H,1H3,(H,26,27,28,29,31);2-13,29H,1H3,(H,25,26,27,28,30);4-11,24H,3H2,1-2H3,(H,20,21,22,23,25)/b16-14+;;.
What are the key properties of 4-(ethylsulfonylamino)-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;4-[(4-fluorophenyl)sulfonylamino]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide?
4-(ethylsulfonylamino)-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;4-[(4-fluorophenyl)sulfonylamino]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide has a molecular weight of 1335.46 g/mol, XLogP of 9.60, 19 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylsulfonylamino)-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;4-[(4-fluorophenyl)sulfonylamino]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide is sourced from PubChem (CID 159182472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).