dipotassium;2-[[2-(3-aminoanilino)-5-chloropyrimidin-4-yl]amino]-N-methylbenzenesulfonamide;2-[[5-chloro-2-(3-nitroanilino)pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide;2-[(2,5-dichloropyrimidin-4-yl)amino]-N-methylbenzenesulfonamide;2-ethylsulfonylaniline;1-ethylsulfonyl-2-nitrobenzene;hydride;methanamine;3-nitroaniline;2-nitrobenzenesulfonyl chloride;oxido formate;2,4,5-trichloropyrimidine

C79H80Cl8K2N24O23S6 — CID 158267905

IUPACdipotassium;2-[[2-(3-aminoanilino)-5-chloropyrimidin-4-yl]amino]-N-methylbenzenesulfonamide;2-[[5-chloro-2-(3-nitroanilino)pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide;2-[(2,5-dichloropyrimidin-4-yl)amino]-N-methylbenzenesulfonamide;2-ethylsulfonylaniline;1-ethylsulfonyl-2-nitrobenzene;hydride;methanamine;3-nitroaniline;2-nitrobenzenesulfonyl chloride;oxido formate;2,4,5-trichloropyrimidine
SMILESCCS(=O)(=O)c1ccccc1N.CCS(=O)(=O)c1ccccc1[N+](=O)[O-].CN.CNS(=O)(=O)c1ccccc1Nc1nc(Cl)ncc1Cl.CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(N)c2)ncc1Cl.CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cccc([N+](=O)[O-])c2)ncc1Cl.Clc1ncc(Cl)c(Cl)n1.Nc1cccc([N+](=O)[O-])c1.O=CO[O-].O=[N+]([O-])c1ccccc1S(=O)(=O)Cl.[H-].[K+].[K+]
InChIInChI=1S/C17H15ClN6O4S.C17H17ClN6O2S.C11H10Cl2N4O2S.C8H9NO4S.C8H11NO2S.C6H4ClNO4S.C6H6N2O2.C4HCl3N2.CH5N.CH2O3.2K.H/c1-19-29(27,28)15-8-3-2-7-14(15)22-16-13(18)10-20-17(23-16)21-11-5-4-6-12(9-11)24(25)26;1-20-27(25,26)15-8-3-2-7-14(15)23-16-13(18)10-21-17(24-16)22-12-6-4-5-11(19)9-12;1-14-20(18,19)9-5-3-2-4-8(9)16-10-7(12)6-15-11(13)17-10;1-2-14(12,13)8-6-4-3-5-7(8)9(10)11;1-2-12(10,11)8-6-4-3-5-7(8)9;7-13(11,12)6-4-2-1-3-5(6)8(9)10;7-5-2-1-3-6(4-5)8(9)10;5-2-1-8-4(7)9-3(2)6;1-2;2-1-4-3;;;/h2-10,19H,1H3,(H2,20,21,22,23);2-10,20H,19H2,1H3,(H2,21,22,23,24);2-6,14H,1H3,(H,15,16,17);3-6H,2H2,1H3;3-6H,2,9H2,1H3;1-4H;1-4H,7H2;1H;2H2,1H3;1,3H;;;/q;;;;;;;;;;2*+1;-1/p-1
InChIKeyGAKUHFJCRYMZSI-UHFFFAOYSA-M
MW2287.88 g/mol
LogP8.69
Rot. Bonds26

About dipotassium;2-[[2-(3-aminoanilino)-5-chloropyrimidin-4-yl]amino]-N-methylbenzenesulfonamide;2-[[5-chloro-2-(3-nitroanilino)pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide;2-[(2,5-dichloropyrimidin-4-yl)amino]-N-methylbenzenesulfonamide;2-ethylsulfonylaniline;1-ethylsulfonyl-2-nitrobenzene;hydride;methanamine;3-nitroaniline;2-nitrobenzenesulfonyl chloride;oxido formate;2,4,5-trichloropyrimidine

dipotassium;2-[[2-(3-aminoanilino)-5-chloropyrimidin-4-yl]amino]-N-methylbenzenesulfonamide;2-[[5-chloro-2-(3-nitroanilino)pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide;2-[(2,5-dichloropyrimidin-4-yl)amino]-N-methylbenzenesulfonamide;2-ethylsulfonylaniline;1-ethylsulfonyl-2-nitrobenzene;hydride;methanamine;3-nitroaniline;2-nitrobenzenesulfonyl chloride;oxido formate;2,4,5-trichloropyrimidine (PubChem CID 158267905) has the molecular formula C79H80Cl8K2N24O23S6 and a molecular weight of 2287.88 g/mol. Its IUPAC name is dipotassium;2-[[2-(3-aminoanilino)-5-chloropyrimidin-4-yl]amino]-N-methylbenzenesulfonamide;2-[[5-chloro-2-(3-nitroanilino)pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide;2-[(2,5-dichloropyrimidin-4-yl)amino]-N-methylbenzenesulfonamide;2-ethylsulfonylaniline;1-ethylsulfonyl-2-nitrobenzene;hydride;methanamine;3-nitroaniline;2-nitrobenzenesulfonyl chloride;oxido formate;2,4,5-trichloropyrimidine.

Molecular Properties

Compound Namedipotassium;2-[[2-(3-aminoanilino)-5-chloropyrimidin-4-yl]amino]-N-methylbenzenesulfonamide;2-[[5-chloro-2-(3-nitroanilino)pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide;2-[(2,5-dichloropyrimidin-4-yl)amino]-N-methylbenzenesulfonamide;2-ethylsulfonylaniline;1-ethylsulfonyl-2-nitrobenzene;hydride;methanamine;3-nitroaniline;2-nitrobenzenesulfonyl chloride;oxido formate;2,4,5-trichloropyrimidine
PubChem CID158267905
Molecular FormulaC79H80Cl8K2N24O23S6
Molecular Weight2287.88 g/mol
Exact Mass2282.09
IUPAC Namedipotassium;2-[[2-(3-aminoanilino)-5-chloropyrimidin-4-yl]amino]-N-methylbenzenesulfonamide;2-[[5-chloro-2-(3-nitroanilino)pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide;2-[(2,5-dichloropyrimidin-4-yl)amino]-N-methylbenzenesulfonamide;2-ethylsulfonylaniline;1-ethylsulfonyl-2-nitrobenzene;hydride;methanamine;3-nitroaniline;2-nitrobenzenesulfonyl chloride;oxido formate;2,4,5-trichloropyrimidine
SMILESCCS(=O)(=O)c1ccccc1N.CCS(=O)(=O)c1ccccc1[N+](=O)[O-].CN.CNS(=O)(=O)c1ccccc1Nc1nc(Cl)ncc1Cl.CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(N)c2)ncc1Cl.CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cccc([N+](=O)[O-])c2)ncc1Cl.Clc1ncc(Cl)c(Cl)n1.Nc1cccc([N+](=O)[O-])c1.O=CO[O-].O=[N+]([O-])c1ccccc1S(=O)(=O)Cl.[H-].[K+].[K+]
InChIInChI=1S/C17H15ClN6O4S.C17H17ClN6O2S.C11H10Cl2N4O2S.C8H9NO4S.C8H11NO2S.C6H4ClNO4S.C6H6N2O2.C4HCl3N2.CH5N.CH2O3.2K.H/c1-19-29(27,28)15-8-3-2-7-14(15)22-16-13(18)10-20-17(23-16)21-11-5-4-6-12(9-11)24(25)26;1-20-27(25,26)15-8-3-2-7-14(15)23-16-13(18)10-21-17(24-16)22-12-6-4-5-11(19)9-12;1-14-20(18,19)9-5-3-2-4-8(9)16-10-7(12)6-15-11(13)17-10;1-2-14(12,13)8-6-4-3-5-7(8)9(10)11;1-2-12(10,11)8-6-4-3-5-7(8)9;7-13(11,12)6-4-2-1-3-5(6)8(9)10;7-5-2-1-3-6(4-5)8(9)10;5-2-1-8-4(7)9-3(2)6;1-2;2-1-4-3;;;/h2-10,19H,1H3,(H2,20,21,22,23);2-10,20H,19H2,1H3,(H2,21,22,23,24);2-6,14H,1H3,(H,15,16,17);3-6H,2H2,1H3;3-6H,2,9H2,1H3;1-4H;1-4H,7H2;1H;2H2,1H3;1,3H;;;/q;;;;;;;;;;2*+1;-1/p-1
InChIKeyGAKUHFJCRYMZSI-UHFFFAOYSA-M
XLogP8.69
TPSA730.20 Ų
H-Bond Donors12
H-Bond Acceptors40
Rotatable Bonds26
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002287.88
LogP ≤ 58.69
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

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

Analyze dipotassium;2-[[2-(3-aminoanilino)-5-chloropyrimidin-4-yl]amino]-N-methylbenzenesulfonamide;2-[[5-chloro-2-(3-nitroanilino)pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide;2-[(2,5-dichloropyrimidin-4-yl)amino]-N-methylbenzenesulfonamide;2-ethylsulfonylaniline;1-ethylsulfonyl-2-nitrobenzene;hydride;methanamine;3-nitroaniline;2-nitrobenzenesulfonyl chloride;oxido formate;2,4,5-trichloropyrimidine with MolForge

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Related Compounds

sodium;2-N-(3-aminophenyl)-5-chloro-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-(3-nitrophenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine;1-fluoro-2-nitrobenzene;hydride;3-nitroaniline;1-nitro-2-propan-2-ylsulfanylbenzene;1-nitro-2-propan-2-ylsulfonylbenzene;2-propan-2-ylsulfonylaniline;2,4,5-trichloropyrimidine
CID 157253324
dipotassium;2-[(2,5-dichloropyrimidin-4-yl)amino]-N-methylbenzenesulfonamide;2-ethylsulfonylaniline;hydride;oxido formate;2,4,5-trichloropyrimidine
CID 157663146
5-chloro-2-N-(3-nitrophenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine;methane;3-nitroaniline
CID 157997797
dipotassium;2-[[2-(3-aminoanilino)-5-chloropyrimidin-4-yl]amino]-N-methylbenzenesulfonamide;N-[3-[[5-chloro-4-[2-(methylsulfamoyl)anilino]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;2-[[5-chloro-2-(3-nitroanilino)pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide;2-[(2,5-dichloropyrimidin-4-yl)amino]-N-methylbenzenesulfonamide;2-ethylsulfonylaniline;1-ethylsulfonyl-2-nitrobenzene;hydride;methanamine;methane;3-nitroaniline;2-nitrobenzenesulfonyl chloride;oxido formate;2,4,5-trichloropyrimidine
CID 158636137
sodium;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine;1-fluoro-2-nitrobenzene;hydride;1-nitro-2-propan-2-ylsulfanylbenzene;1-nitro-2-propan-2-ylsulfonylbenzene;2-propan-2-ylsulfonylaniline;2,4,5-trichloropyrimidine
CID 159551840
2-[[5-chloro-2-(3-nitroanilino)pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide;2-[(2,5-dichloropyrimidin-4-yl)amino]-N-methylbenzenesulfonamide;methane;3-nitroaniline
CID 159773499
2-N-(3-aminophenyl)-5-chloro-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-(3-nitrophenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 159948548
sodium;5-chloro-2-N-[(3-nitrophenyl)methyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine;1-fluoro-2-nitrobenzene;hydride;1-nitro-2-propan-2-ylsulfanylbenzene;1-nitro-2-propan-2-ylsulfonylbenzene;2-propan-2-ylsulfonylaniline;2,4,5-trichloropyrimidine
CID 160098151
5-chloro-2-N-(3-nitrophenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine;3-nitroaniline
CID 161336860
2-N-(3-aminophenyl)-5-chloro-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-(3-nitrophenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;N-[3-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine;3-nitroaniline
CID 161417071

Frequently Asked Questions

What is the IUPAC name of dipotassium;2-[[2-(3-aminoanilino)-5-chloropyrimidin-4-yl]amino]-N-methylbenzenesulfonamide;2-[[5-chloro-2-(3-nitroanilino)pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide;2-[(2,5-dichloropyrimidin-4-yl)amino]-N-methylbenzenesulfonamide;2-ethylsulfonylaniline;1-ethylsulfonyl-2-nitrobenzene;hydride;methanamine;3-nitroaniline;2-nitrobenzenesulfonyl chloride;oxido formate;2,4,5-trichloropyrimidine?
The IUPAC name of dipotassium;2-[[2-(3-aminoanilino)-5-chloropyrimidin-4-yl]amino]-N-methylbenzenesulfonamide;2-[[5-chloro-2-(3-nitroanilino)pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide;2-[(2,5-dichloropyrimidin-4-yl)amino]-N-methylbenzenesulfonamide;2-ethylsulfonylaniline;1-ethylsulfonyl-2-nitrobenzene;hydride;methanamine;3-nitroaniline;2-nitrobenzenesulfonyl chloride;oxido formate;2,4,5-trichloropyrimidine (CID 158267905) is dipotassium;2-[[2-(3-aminoanilino)-5-chloropyrimidin-4-yl]amino]-N-methylbenzenesulfonamide;2-[[5-chloro-2-(3-nitroanilino)pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide;2-[(2,5-dichloropyrimidin-4-yl)amino]-N-methylbenzenesulfonamide;2-ethylsulfonylaniline;1-ethylsulfonyl-2-nitrobenzene;hydride;methanamine;3-nitroaniline;2-nitrobenzenesulfonyl chloride;oxido formate;2,4,5-trichloropyrimidine.
What is the SMILES notation for dipotassium;2-[[2-(3-aminoanilino)-5-chloropyrimidin-4-yl]amino]-N-methylbenzenesulfonamide;2-[[5-chloro-2-(3-nitroanilino)pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide;2-[(2,5-dichloropyrimidin-4-yl)amino]-N-methylbenzenesulfonamide;2-ethylsulfonylaniline;1-ethylsulfonyl-2-nitrobenzene;hydride;methanamine;3-nitroaniline;2-nitrobenzenesulfonyl chloride;oxido formate;2,4,5-trichloropyrimidine?
The canonical SMILES for dipotassium;2-[[2-(3-aminoanilino)-5-chloropyrimidin-4-yl]amino]-N-methylbenzenesulfonamide;2-[[5-chloro-2-(3-nitroanilino)pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide;2-[(2,5-dichloropyrimidin-4-yl)amino]-N-methylbenzenesulfonamide;2-ethylsulfonylaniline;1-ethylsulfonyl-2-nitrobenzene;hydride;methanamine;3-nitroaniline;2-nitrobenzenesulfonyl chloride;oxido formate;2,4,5-trichloropyrimidine is CCS(=O)(=O)c1ccccc1N.CCS(=O)(=O)c1ccccc1[N+](=O)[O-].CN.CNS(=O)(=O)c1ccccc1Nc1nc(Cl)ncc1Cl.CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(N)c2)ncc1Cl.CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cccc([N+](=O)[O-])c2)ncc1Cl.Clc1ncc(Cl)c(Cl)n1.Nc1cccc([N+](=O)[O-])c1.O=CO[O-].O=[N+]([O-])c1ccccc1S(=O)(=O)Cl.[H-].[K+].[K+].
What is the InChIKey of dipotassium;2-[[2-(3-aminoanilino)-5-chloropyrimidin-4-yl]amino]-N-methylbenzenesulfonamide;2-[[5-chloro-2-(3-nitroanilino)pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide;2-[(2,5-dichloropyrimidin-4-yl)amino]-N-methylbenzenesulfonamide;2-ethylsulfonylaniline;1-ethylsulfonyl-2-nitrobenzene;hydride;methanamine;3-nitroaniline;2-nitrobenzenesulfonyl chloride;oxido formate;2,4,5-trichloropyrimidine?
The InChIKey is GAKUHFJCRYMZSI-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H15ClN6O4S.C17H17ClN6O2S.C11H10Cl2N4O2S.C8H9NO4S.C8H11NO2S.C6H4ClNO4S.C6H6N2O2.C4HCl3N2.CH5N.CH2O3.2K.H/c1-19-29(27,28)15-8-3-2-7-14(15)22-16-13(18)10-20-17(23-16)21-11-5-4-6-12(9-11)24(25)26;1-20-27(25,26)15-8-3-2-7-14(15)23-16-13(18)10-21-17(24-16)22-12-6-4-5-11(19)9-12;1-14-20(18,19)9-5-3-2-4-8(9)16-10-7(12)6-15-11(13)17-10;1-2-14(12,13)8-6-4-3-5-7(8)9(10)11;1-2-12(10,11)8-6-4-3-5-7(8)9;7-13(11,12)6-4-2-1-3-5(6)8(9)10;7-5-2-1-3-6(4-5)8(9)10;5-2-1-8-4(7)9-3(2)6;1-2;2-1-4-3;;;/h2-10,19H,1H3,(H2,20,21,22,23);2-10,20H,19H2,1H3,(H2,21,22,23,24);2-6,14H,1H3,(H,15,16,17);3-6H,2H2,1H3;3-6H,2,9H2,1H3;1-4H;1-4H,7H2;1H;2H2,1H3;1,3H;;;/q;;;;;;;;;;2*+1;-1/p-1.
What are the key properties of dipotassium;2-[[2-(3-aminoanilino)-5-chloropyrimidin-4-yl]amino]-N-methylbenzenesulfonamide;2-[[5-chloro-2-(3-nitroanilino)pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide;2-[(2,5-dichloropyrimidin-4-yl)amino]-N-methylbenzenesulfonamide;2-ethylsulfonylaniline;1-ethylsulfonyl-2-nitrobenzene;hydride;methanamine;3-nitroaniline;2-nitrobenzenesulfonyl chloride;oxido formate;2,4,5-trichloropyrimidine?
dipotassium;2-[[2-(3-aminoanilino)-5-chloropyrimidin-4-yl]amino]-N-methylbenzenesulfonamide;2-[[5-chloro-2-(3-nitroanilino)pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide;2-[(2,5-dichloropyrimidin-4-yl)amino]-N-methylbenzenesulfonamide;2-ethylsulfonylaniline;1-ethylsulfonyl-2-nitrobenzene;hydride;methanamine;3-nitroaniline;2-nitrobenzenesulfonyl chloride;oxido formate;2,4,5-trichloropyrimidine has a molecular weight of 2287.88 g/mol, XLogP of 8.69, 26 rotatable bonds, 12 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;2-[[2-(3-aminoanilino)-5-chloropyrimidin-4-yl]amino]-N-methylbenzenesulfonamide;2-[[5-chloro-2-(3-nitroanilino)pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide;2-[(2,5-dichloropyrimidin-4-yl)amino]-N-methylbenzenesulfonamide;2-ethylsulfonylaniline;1-ethylsulfonyl-2-nitrobenzene;hydride;methanamine;3-nitroaniline;2-nitrobenzenesulfonyl chloride;oxido formate;2,4,5-trichloropyrimidine is sourced from PubChem (CID 158267905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).