4-[(2-aminopyrimidin-4-yl)amino]benzenesulfonamide;4-[(2-aminopyrimidin-4-yl)amino]-N-(2-phenylpyrazol-3-yl)benzenesulfonamide;4-[(2-aminopyrimidin-4-yl)amino]-N-pyridin-2-ylbenzenesulfonamide;4-[(2-aminopyrimidin-4-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;1-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(1S)-1-phenylpropyl]indole-4-carboxamide;methane;sulfane;4-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylphenyl]pyrimidine-2,4-diamine;tetrahydrochloride

C122H127Cl4F3N40O13S7 — CID 160515289

IUPAC4-[(2-aminopyrimidin-4-yl)amino]benzenesulfonamide;4-[(2-aminopyrimidin-4-yl)amino]-N-(2-phenylpyrazol-3-yl)benzenesulfonamide;4-[(2-aminopyrimidin-4-yl)amino]-N-pyridin-2-ylbenzenesulfonamide;4-[(2-aminopyrimidin-4-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;1-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(1S)-1-phenylpropyl]indole-4-carboxamide;methane;sulfane;4-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylphenyl]pyrimidine-2,4-diamine;tetrahydrochloride
SMILESC.CC[C@H](NC(=O)c1cccc2c1ccn2-c1ccnc(N)n1)c1ccccc1.COc1cccc(CNC(=O)c2cccc3c2CCN3c2ccnc(N)n2)c1.Cl.Cl.Cl.Cl.Nc1nccc(Nc2ccc(S(=O)(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2)n1.Nc1nccc(Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)n1.Nc1nccc(Nc2ccc(S(=O)(=O)Nc3ccnn3-c3ccccc3)cc2)n1.Nc1nccc(Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)n1.Nc1nccc(Nc2ccc(S(N)(=O)=O)cc2)n1.S
InChIInChI=1S/C22H21N5O.C21H21F3N6O2S.C21H21N5O2.C19H17N7O2S.C15H14N6O2S.C13H12N6O2S2.C10H11N5O2S.CH4.4ClH.H2S/c1-2-18(15-7-4-3-5-8-15)25-21(28)17-9-6-10-19-16(17)12-14-27(19)20-11-13-24-22(23)26-20;22-21(23,24)15-2-1-3-17(14-15)29-10-12-30(13-11-29)33(31,32)18-6-4-16(5-7-18)27-19-8-9-26-20(25)28-19;1-28-15-5-2-4-14(12-15)13-24-20(27)17-6-3-7-18-16(17)9-11-26(18)19-8-10-23-21(22)25-19;20-19-21-12-10-17(24-19)23-14-6-8-16(9-7-14)29(27,28)25-18-11-13-22-26(18)15-4-2-1-3-5-15;16-15-18-10-8-14(20-15)19-11-4-6-12(7-5-11)24(22,23)21-13-3-1-2-9-17-13;14-12-15-6-5-11(18-12)17-9-1-3-10(4-2-9)23(20,21)19-13-16-7-8-22-13;11-10-13-6-5-9(15-10)14-7-1-3-8(4-2-7)18(12,16)17;;;;;;/h3-14,18H,2H2,1H3,(H,25,28)(H2,23,24,26);1-9,14H,10-13H2,(H3,25,26,27,28);2-8,10,12H,9,11,13H2,1H3,(H,24,27)(H2,22,23,25);1-13,25H,(H3,20,21,23,24);1-10H,(H,17,21)(H3,16,18,19,20);1-8H,(H,16,19)(H3,14,15,17,18);1-6H,(H2,12,16,17)(H3,11,13,14,15);1H4;4*1H;1H2/t18-;;;;;;;;;;;;/m0............/s1
InChIKeyHCMJZVKIHGRVGF-QPXQAYAGSA-N
MW2784.90 g/mol
LogP19.64
Rot. Bonds34

About 4-[(2-aminopyrimidin-4-yl)amino]benzenesulfonamide;4-[(2-aminopyrimidin-4-yl)amino]-N-(2-phenylpyrazol-3-yl)benzenesulfonamide;4-[(2-aminopyrimidin-4-yl)amino]-N-pyridin-2-ylbenzenesulfonamide;4-[(2-aminopyrimidin-4-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;1-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(1S)-1-phenylpropyl]indole-4-carboxamide;methane;sulfane;4-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylphenyl]pyrimidine-2,4-diamine;tetrahydrochloride

4-[(2-aminopyrimidin-4-yl)amino]benzenesulfonamide;4-[(2-aminopyrimidin-4-yl)amino]-N-(2-phenylpyrazol-3-yl)benzenesulfonamide;4-[(2-aminopyrimidin-4-yl)amino]-N-pyridin-2-ylbenzenesulfonamide;4-[(2-aminopyrimidin-4-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;1-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(1S)-1-phenylpropyl]indole-4-carboxamide;methane;sulfane;4-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylphenyl]pyrimidine-2,4-diamine;tetrahydrochloride (PubChem CID 160515289) has the molecular formula C122H127Cl4F3N40O13S7 and a molecular weight of 2784.90 g/mol. Its IUPAC name is 4-[(2-aminopyrimidin-4-yl)amino]benzenesulfonamide;4-[(2-aminopyrimidin-4-yl)amino]-N-(2-phenylpyrazol-3-yl)benzenesulfonamide;4-[(2-aminopyrimidin-4-yl)amino]-N-pyridin-2-ylbenzenesulfonamide;4-[(2-aminopyrimidin-4-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;1-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(1S)-1-phenylpropyl]indole-4-carboxamide;methane;sulfane;4-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylphenyl]pyrimidine-2,4-diamine;tetrahydrochloride.

Molecular Properties

Compound Name4-[(2-aminopyrimidin-4-yl)amino]benzenesulfonamide;4-[(2-aminopyrimidin-4-yl)amino]-N-(2-phenylpyrazol-3-yl)benzenesulfonamide;4-[(2-aminopyrimidin-4-yl)amino]-N-pyridin-2-ylbenzenesulfonamide;4-[(2-aminopyrimidin-4-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;1-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(1S)-1-phenylpropyl]indole-4-carboxamide;methane;sulfane;4-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylphenyl]pyrimidine-2,4-diamine;tetrahydrochloride
PubChem CID160515289
Molecular FormulaC122H127Cl4F3N40O13S7
Molecular Weight2784.90 g/mol
Exact Mass2780.73
IUPAC Name4-[(2-aminopyrimidin-4-yl)amino]benzenesulfonamide;4-[(2-aminopyrimidin-4-yl)amino]-N-(2-phenylpyrazol-3-yl)benzenesulfonamide;4-[(2-aminopyrimidin-4-yl)amino]-N-pyridin-2-ylbenzenesulfonamide;4-[(2-aminopyrimidin-4-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;1-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(1S)-1-phenylpropyl]indole-4-carboxamide;methane;sulfane;4-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylphenyl]pyrimidine-2,4-diamine;tetrahydrochloride
SMILESC.CC[C@H](NC(=O)c1cccc2c1ccn2-c1ccnc(N)n1)c1ccccc1.COc1cccc(CNC(=O)c2cccc3c2CCN3c2ccnc(N)n2)c1.Cl.Cl.Cl.Cl.Nc1nccc(Nc2ccc(S(=O)(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2)n1.Nc1nccc(Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)n1.Nc1nccc(Nc2ccc(S(=O)(=O)Nc3ccnn3-c3ccccc3)cc2)n1.Nc1nccc(Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)n1.Nc1nccc(Nc2ccc(S(N)(=O)=O)cc2)n1.S
InChIInChI=1S/C22H21N5O.C21H21F3N6O2S.C21H21N5O2.C19H17N7O2S.C15H14N6O2S.C13H12N6O2S2.C10H11N5O2S.CH4.4ClH.H2S/c1-2-18(15-7-4-3-5-8-15)25-21(28)17-9-6-10-19-16(17)12-14-27(19)20-11-13-24-22(23)26-20;22-21(23,24)15-2-1-3-17(14-15)29-10-12-30(13-11-29)33(31,32)18-6-4-16(5-7-18)27-19-8-9-26-20(25)28-19;1-28-15-5-2-4-14(12-15)13-24-20(27)17-6-3-7-18-16(17)9-11-26(18)19-8-10-23-21(22)25-19;20-19-21-12-10-17(24-19)23-14-6-8-16(9-7-14)29(27,28)25-18-11-13-22-26(18)15-4-2-1-3-5-15;16-15-18-10-8-14(20-15)19-11-4-6-12(7-5-11)24(22,23)21-13-3-1-2-9-17-13;14-12-15-6-5-11(18-12)17-9-1-3-10(4-2-9)23(20,21)19-13-16-7-8-22-13;11-10-13-6-5-9(15-10)14-7-1-3-8(4-2-7)18(12,16)17;;;;;;/h3-14,18H,2H2,1H3,(H,25,28)(H2,23,24,26);1-9,14H,10-13H2,(H3,25,26,27,28);2-8,10,12H,9,11,13H2,1H3,(H,24,27)(H2,22,23,25);1-13,25H,(H3,20,21,23,24);1-10H,(H,17,21)(H3,16,18,19,20);1-8H,(H,16,19)(H3,14,15,17,18);1-6H,(H2,12,16,17)(H3,11,13,14,15);1H4;4*1H;1H2/t18-;;;;;;;;;;;;/m0............/s1
InChIKeyHCMJZVKIHGRVGF-QPXQAYAGSA-N
XLogP19.64
TPSA781.24 Ų
H-Bond Donors18
H-Bond Acceptors47
Rotatable Bonds34
Heavy Atoms189
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002784.90
LogP ≤ 519.64
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1047

Analyze 4-[(2-aminopyrimidin-4-yl)amino]benzenesulfonamide;4-[(2-aminopyrimidin-4-yl)amino]-N-(2-phenylpyrazol-3-yl)benzenesulfonamide;4-[(2-aminopyrimidin-4-yl)amino]-N-pyridin-2-ylbenzenesulfonamide;4-[(2-aminopyrimidin-4-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;1-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(1S)-1-phenylpropyl]indole-4-carboxamide;methane;sulfane;4-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylphenyl]pyrimidine-2,4-diamine;tetrahydrochloride with MolForge

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Related Compounds

2-(3-aminoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;N-(2-piperazin-1-ylphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-1,3-thiazole-4-carboxamide
CID 158130528
2-(3-aminoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;N-(2-piperazin-1-ylphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-1,3-thiazole-4-carboxamide
CID 162143377
N-[[4-(2-methylindazol-5-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;3-[[4-(6-methylpyrazin-2-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-(1,3-thiazol-2-ylsulfonyl)phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 173468683
4-[4-(4-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5-fluoro-2-methylindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[3-(4-fluorophenoxy)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen
CID 157921248
4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(5-methoxyindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 158391476

Frequently Asked Questions

What is the IUPAC name of 4-[(2-aminopyrimidin-4-yl)amino]benzenesulfonamide;4-[(2-aminopyrimidin-4-yl)amino]-N-(2-phenylpyrazol-3-yl)benzenesulfonamide;4-[(2-aminopyrimidin-4-yl)amino]-N-pyridin-2-ylbenzenesulfonamide;4-[(2-aminopyrimidin-4-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;1-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(1S)-1-phenylpropyl]indole-4-carboxamide;methane;sulfane;4-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylphenyl]pyrimidine-2,4-diamine;tetrahydrochloride?
The IUPAC name of 4-[(2-aminopyrimidin-4-yl)amino]benzenesulfonamide;4-[(2-aminopyrimidin-4-yl)amino]-N-(2-phenylpyrazol-3-yl)benzenesulfonamide;4-[(2-aminopyrimidin-4-yl)amino]-N-pyridin-2-ylbenzenesulfonamide;4-[(2-aminopyrimidin-4-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;1-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(1S)-1-phenylpropyl]indole-4-carboxamide;methane;sulfane;4-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylphenyl]pyrimidine-2,4-diamine;tetrahydrochloride (CID 160515289) is 4-[(2-aminopyrimidin-4-yl)amino]benzenesulfonamide;4-[(2-aminopyrimidin-4-yl)amino]-N-(2-phenylpyrazol-3-yl)benzenesulfonamide;4-[(2-aminopyrimidin-4-yl)amino]-N-pyridin-2-ylbenzenesulfonamide;4-[(2-aminopyrimidin-4-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;1-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(1S)-1-phenylpropyl]indole-4-carboxamide;methane;sulfane;4-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylphenyl]pyrimidine-2,4-diamine;tetrahydrochloride.
What is the SMILES notation for 4-[(2-aminopyrimidin-4-yl)amino]benzenesulfonamide;4-[(2-aminopyrimidin-4-yl)amino]-N-(2-phenylpyrazol-3-yl)benzenesulfonamide;4-[(2-aminopyrimidin-4-yl)amino]-N-pyridin-2-ylbenzenesulfonamide;4-[(2-aminopyrimidin-4-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;1-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(1S)-1-phenylpropyl]indole-4-carboxamide;methane;sulfane;4-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylphenyl]pyrimidine-2,4-diamine;tetrahydrochloride?
The canonical SMILES for 4-[(2-aminopyrimidin-4-yl)amino]benzenesulfonamide;4-[(2-aminopyrimidin-4-yl)amino]-N-(2-phenylpyrazol-3-yl)benzenesulfonamide;4-[(2-aminopyrimidin-4-yl)amino]-N-pyridin-2-ylbenzenesulfonamide;4-[(2-aminopyrimidin-4-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;1-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(1S)-1-phenylpropyl]indole-4-carboxamide;methane;sulfane;4-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylphenyl]pyrimidine-2,4-diamine;tetrahydrochloride is C.CC[C@H](NC(=O)c1cccc2c1ccn2-c1ccnc(N)n1)c1ccccc1.COc1cccc(CNC(=O)c2cccc3c2CCN3c2ccnc(N)n2)c1.Cl.Cl.Cl.Cl.Nc1nccc(Nc2ccc(S(=O)(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2)n1.Nc1nccc(Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)n1.Nc1nccc(Nc2ccc(S(=O)(=O)Nc3ccnn3-c3ccccc3)cc2)n1.Nc1nccc(Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)n1.Nc1nccc(Nc2ccc(S(N)(=O)=O)cc2)n1.S.
What is the InChIKey of 4-[(2-aminopyrimidin-4-yl)amino]benzenesulfonamide;4-[(2-aminopyrimidin-4-yl)amino]-N-(2-phenylpyrazol-3-yl)benzenesulfonamide;4-[(2-aminopyrimidin-4-yl)amino]-N-pyridin-2-ylbenzenesulfonamide;4-[(2-aminopyrimidin-4-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;1-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(1S)-1-phenylpropyl]indole-4-carboxamide;methane;sulfane;4-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylphenyl]pyrimidine-2,4-diamine;tetrahydrochloride?
The InChIKey is HCMJZVKIHGRVGF-QPXQAYAGSA-N. The full InChI is InChI=1S/C22H21N5O.C21H21F3N6O2S.C21H21N5O2.C19H17N7O2S.C15H14N6O2S.C13H12N6O2S2.C10H11N5O2S.CH4.4ClH.H2S/c1-2-18(15-7-4-3-5-8-15)25-21(28)17-9-6-10-19-16(17)12-14-27(19)20-11-13-24-22(23)26-20;22-21(23,24)15-2-1-3-17(14-15)29-10-12-30(13-11-29)33(31,32)18-6-4-16(5-7-18)27-19-8-9-26-20(25)28-19;1-28-15-5-2-4-14(12-15)13-24-20(27)17-6-3-7-18-16(17)9-11-26(18)19-8-10-23-21(22)25-19;20-19-21-12-10-17(24-19)23-14-6-8-16(9-7-14)29(27,28)25-18-11-13-22-26(18)15-4-2-1-3-5-15;16-15-18-10-8-14(20-15)19-11-4-6-12(7-5-11)24(22,23)21-13-3-1-2-9-17-13;14-12-15-6-5-11(18-12)17-9-1-3-10(4-2-9)23(20,21)19-13-16-7-8-22-13;11-10-13-6-5-9(15-10)14-7-1-3-8(4-2-7)18(12,16)17;;;;;;/h3-14,18H,2H2,1H3,(H,25,28)(H2,23,24,26);1-9,14H,10-13H2,(H3,25,26,27,28);2-8,10,12H,9,11,13H2,1H3,(H,24,27)(H2,22,23,25);1-13,25H,(H3,20,21,23,24);1-10H,(H,17,21)(H3,16,18,19,20);1-8H,(H,16,19)(H3,14,15,17,18);1-6H,(H2,12,16,17)(H3,11,13,14,15);1H4;4*1H;1H2/t18-;;;;;;;;;;;;/m0............/s1.
What are the key properties of 4-[(2-aminopyrimidin-4-yl)amino]benzenesulfonamide;4-[(2-aminopyrimidin-4-yl)amino]-N-(2-phenylpyrazol-3-yl)benzenesulfonamide;4-[(2-aminopyrimidin-4-yl)amino]-N-pyridin-2-ylbenzenesulfonamide;4-[(2-aminopyrimidin-4-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;1-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(1S)-1-phenylpropyl]indole-4-carboxamide;methane;sulfane;4-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylphenyl]pyrimidine-2,4-diamine;tetrahydrochloride?
4-[(2-aminopyrimidin-4-yl)amino]benzenesulfonamide;4-[(2-aminopyrimidin-4-yl)amino]-N-(2-phenylpyrazol-3-yl)benzenesulfonamide;4-[(2-aminopyrimidin-4-yl)amino]-N-pyridin-2-ylbenzenesulfonamide;4-[(2-aminopyrimidin-4-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;1-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(1S)-1-phenylpropyl]indole-4-carboxamide;methane;sulfane;4-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylphenyl]pyrimidine-2,4-diamine;tetrahydrochloride has a molecular weight of 2784.90 g/mol, XLogP of 19.64, 34 rotatable bonds, 18 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-aminopyrimidin-4-yl)amino]benzenesulfonamide;4-[(2-aminopyrimidin-4-yl)amino]-N-(2-phenylpyrazol-3-yl)benzenesulfonamide;4-[(2-aminopyrimidin-4-yl)amino]-N-pyridin-2-ylbenzenesulfonamide;4-[(2-aminopyrimidin-4-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;1-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(1S)-1-phenylpropyl]indole-4-carboxamide;methane;sulfane;4-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylphenyl]pyrimidine-2,4-diamine;tetrahydrochloride is sourced from PubChem (CID 160515289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).