1-chloro-N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]methanesulfonamide;N-[4-chloro-2-fluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3-fluoropropane-1-sulfonamide;N-[2-chloro-4-fluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]ethanesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3-fluoropropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]methanesulfonamide

C109H89Cl3F12N42O12S6 — CID 157260387

IUPAC1-chloro-N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]methanesulfonamide;N-[4-chloro-2-fluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3-fluoropropane-1-sulfonamide;N-[2-chloro-4-fluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]ethanesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3-fluoropropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]methanesulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3nc[nH]c23)c1Cl.CCS(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3nc[nH]c23)c1F.CS(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3nc[nH]c23)c1F.O=S(=O)(CCCF)Nc1ccc(Cl)c(Nc2ncccc2-c2ncnc3nc[nH]c23)c1F.O=S(=O)(CCCF)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3nc[nH]c23)c1F.O=S(=O)(CCl)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3nc[nH]c23)c1F
InChIInChI=1S/C19H16ClF2N7O2S.C19H17ClFN7O2S.C19H16F3N7O2S.C18H15F2N7O2S.C17H12ClF2N7O2S.C17H13F2N7O2S/c20-12-4-5-13(29-32(30,31)8-2-6-21)14(22)16(12)28-18-11(3-1-7-23-18)15-17-19(26-9-24-15)27-10-25-17;1-2-8-31(29,30)28-13-6-5-12(21)16(14(13)20)27-18-11(4-3-7-22-18)15-17-19(25-9-23-15)26-10-24-17;20-6-2-8-32(30,31)29-13-5-4-12(21)16(14(13)22)28-18-11(3-1-7-23-18)15-17-19(26-9-24-15)27-10-25-17;1-2-30(28,29)27-12-6-5-11(19)15(13(12)20)26-17-10(4-3-7-21-17)14-16-18(24-8-22-14)25-9-23-16;18-6-30(28,29)27-11-4-3-10(19)14(12(11)20)26-16-9(2-1-5-21-16)13-15-17(24-7-22-13)25-8-23-15;1-29(27,28)26-11-5-4-10(18)14(12(11)19)25-16-9(3-2-6-20-16)13-15-17(23-7-21-13)24-8-22-15/h1,3-5,7,9-10,29H,2,6,8H2,(H,23,28)(H,24,25,26,27);3-7,9-10,28H,2,8H2,1H3,(H,22,27)(H,23,24,25,26);1,3-5,7,9-10,29H,2,6,8H2,(H,23,28)(H,24,25,26,27);3-9,27H,2H2,1H3,(H,21,26)(H,22,23,24,25);1-5,7-8,27H,6H2,(H,21,26)(H,22,23,24,25);2-8,26H,1H3,(H,20,25)(H,21,22,23,24)
InChIKeyAXJQEDFFTDMZNU-UHFFFAOYSA-N
MW2705.93 g/mol
LogP21.07
Rot. Bonds40

About 1-chloro-N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]methanesulfonamide;N-[4-chloro-2-fluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3-fluoropropane-1-sulfonamide;N-[2-chloro-4-fluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]ethanesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3-fluoropropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]methanesulfonamide

1-chloro-N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]methanesulfonamide;N-[4-chloro-2-fluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3-fluoropropane-1-sulfonamide;N-[2-chloro-4-fluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]ethanesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3-fluoropropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]methanesulfonamide (PubChem CID 157260387) has the molecular formula C109H89Cl3F12N42O12S6 and a molecular weight of 2705.93 g/mol. Its IUPAC name is 1-chloro-N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]methanesulfonamide;N-[4-chloro-2-fluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3-fluoropropane-1-sulfonamide;N-[2-chloro-4-fluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]ethanesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3-fluoropropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]methanesulfonamide;N-[4-chloro-2-fluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3-fluoropropane-1-sulfonamide;N-[2-chloro-4-fluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]ethanesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3-fluoropropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]methanesulfonamide
PubChem CID157260387
Molecular FormulaC109H89Cl3F12N42O12S6
Molecular Weight2705.93 g/mol
Exact Mass2702.48
IUPAC Name1-chloro-N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]methanesulfonamide;N-[4-chloro-2-fluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3-fluoropropane-1-sulfonamide;N-[2-chloro-4-fluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]ethanesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3-fluoropropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]methanesulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3nc[nH]c23)c1Cl.CCS(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3nc[nH]c23)c1F.CS(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3nc[nH]c23)c1F.O=S(=O)(CCCF)Nc1ccc(Cl)c(Nc2ncccc2-c2ncnc3nc[nH]c23)c1F.O=S(=O)(CCCF)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3nc[nH]c23)c1F.O=S(=O)(CCl)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3nc[nH]c23)c1F
InChIInChI=1S/C19H16ClF2N7O2S.C19H17ClFN7O2S.C19H16F3N7O2S.C18H15F2N7O2S.C17H12ClF2N7O2S.C17H13F2N7O2S/c20-12-4-5-13(29-32(30,31)8-2-6-21)14(22)16(12)28-18-11(3-1-7-23-18)15-17-19(26-9-24-15)27-10-25-17;1-2-8-31(29,30)28-13-6-5-12(21)16(14(13)20)27-18-11(4-3-7-22-18)15-17-19(25-9-23-15)26-10-24-17;20-6-2-8-32(30,31)29-13-5-4-12(21)16(14(13)22)28-18-11(3-1-7-23-18)15-17-19(26-9-24-15)27-10-25-17;1-2-30(28,29)27-12-6-5-11(19)15(13(12)20)26-17-10(4-3-7-21-17)14-16-18(24-8-22-14)25-9-23-16;18-6-30(28,29)27-11-4-3-10(19)14(12(11)20)26-16-9(2-1-5-21-16)13-15-17(24-7-22-13)25-8-23-15;1-29(27,28)26-11-5-4-10(18)14(12(11)19)25-16-9(3-2-6-20-16)13-15-17(23-7-21-13)24-8-22-15/h1,3-5,7,9-10,29H,2,6,8H2,(H,23,28)(H,24,25,26,27);3-7,9-10,28H,2,8H2,1H3,(H,22,27)(H,23,24,25,26);1,3-5,7,9-10,29H,2,6,8H2,(H,23,28)(H,24,25,26,27);3-9,27H,2H2,1H3,(H,21,26)(H,22,23,24,25);1-5,7-8,27H,6H2,(H,21,26)(H,22,23,24,25);2-8,26H,1H3,(H,20,25)(H,21,22,23,24)
InChIKeyAXJQEDFFTDMZNU-UHFFFAOYSA-N
XLogP21.07
TPSA753.30 Ų
H-Bond Donors18
H-Bond Acceptors42
Rotatable Bonds40
Heavy Atoms184
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002705.93
LogP ≤ 521.07
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

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

Analyze 1-chloro-N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]methanesulfonamide;N-[4-chloro-2-fluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3-fluoropropane-1-sulfonamide;N-[2-chloro-4-fluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]ethanesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3-fluoropropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-(3-(9H-purin-6-yl)pyridin-2-ylamino)-4-chloro-2-fluorophenyl)-3-fluoropropane-1-sulfonamide
CID 71570569
n-(3-(3-(9h-Purin-6-yl)pyridin-2-ylamino)-4-chloro-2-fluorophenyl)propane-1-sulfonamide
CID 71570718
4-chloro-N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]benzenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]benzenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3,4-difluorobenzenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-2,2,2-trifluoroethanesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3,3,3-trifluoropropane-1-sulfonamide
CID 157506187
1-(Benzenesulfonyl)-3-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]urea;1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-methylpiperidin-4-yl]-3-phenylurea;1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]-3-(4,4-difluorocyclohexyl)urea;1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-(trifluoromethyl)piperidin-4-yl]-3-cyclohexylurea;1-[1-[8-(2-chlorophenyl)-9-(4-fluorophenyl)purin-6-yl]piperidin-4-yl]-3-(2-fluorophenyl)urea
CID 158016255
4-chloro-N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]benzenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]ethenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-2-phenylcyclopropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-2,2,2-trifluoroethanesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3,3,3-trifluoropropane-1-sulfonamide
CID 158743856
N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]benzenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3,4-difluorobenzenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]ethanesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]methanesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 160264406
6-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;4-chloro-6-(2-methylbenzimidazol-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine;6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(4,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-[2-(difluoromethyl)-6-fluorobenzimidazol-1-yl]-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(4-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 160544143
sodium;2-chloro-6-methyl-7-(4-methylphenyl)sulfonyl-N-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[2,3-d]pyrimidin-4-amine;2,4-dichloro-6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;2,4-dichloro-6-methyl-7H-pyrrolo[2,3-d]pyrimidine;methanolate;6-methyl-7-(4-methylphenyl)sulfonyl-2-phenyl-N-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-2-phenyl-N-[2-(trifluoromethyl)-4-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;phenylboronic acid;2-(trifluoromethyl)pyridin-4-amine
CID 165016435
N-[3-[[3-(8-chloro-7H-purin-6-yl)-2-pyridinyl]amino]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(7H-purin-6-yl)anilino]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]propane-1-sulfonamide;N-[4-methyl-3-[2-(7H-purin-6-yl)anilino]phenyl]propane-1-sulfonamide;N-[2-[2-(7H-purin-6-yl)anilino]-4-pyridinyl]propane-1-sulfonamide
CID 157834223
1-chloro-N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]methanesulfonamide;N-[4-chloro-2-fluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3-fluoropropane-1-sulfonamide;N-[2-chloro-4-fluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]propane-1-sulfonamide;N-[4-chloro-2-fluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3-fluoropropane-1-sulfonamide
CID 157866790
[4-(aminomethyl)cyclohexyl]methanamine;tris(N-[[4-(aminomethyl)cyclohexyl]methyl]-8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-amine);bis(6-chloro-8-(2-chlorophenyl)-9-(4-chlorophenyl)purine);8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-piperidin-1-ylpurine;N-[[4-[[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]methyl]cyclohexyl]methyl]methanesulfonamide;8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-[[4-[(sulfamoylamino)methyl]cyclohexyl]methylamino]purine;methanesulfonyl chloride;piperidine;sulfamide
CID 157967165
N-(benzenesulfonyl)-4-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperazine-1-carboxamide;4-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-N-cyclohexylpiperazine-1-sulfonamide;4-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-N-cyclohexylsulfonylpiperazine-1-carboxamide;4-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-N-phenylpiperazine-1-sulfonamide;1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-N-(phenylsulfamoyl)piperidin-4-amine
CID 158021393

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]methanesulfonamide;N-[4-chloro-2-fluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3-fluoropropane-1-sulfonamide;N-[2-chloro-4-fluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]ethanesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3-fluoropropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]methanesulfonamide?
The IUPAC name of 1-chloro-N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]methanesulfonamide;N-[4-chloro-2-fluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3-fluoropropane-1-sulfonamide;N-[2-chloro-4-fluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]ethanesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3-fluoropropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]methanesulfonamide (CID 157260387) is 1-chloro-N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]methanesulfonamide;N-[4-chloro-2-fluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3-fluoropropane-1-sulfonamide;N-[2-chloro-4-fluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]ethanesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3-fluoropropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]methanesulfonamide.
What is the SMILES notation for 1-chloro-N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]methanesulfonamide;N-[4-chloro-2-fluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3-fluoropropane-1-sulfonamide;N-[2-chloro-4-fluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]ethanesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3-fluoropropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]methanesulfonamide?
The canonical SMILES for 1-chloro-N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]methanesulfonamide;N-[4-chloro-2-fluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3-fluoropropane-1-sulfonamide;N-[2-chloro-4-fluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]ethanesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3-fluoropropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]methanesulfonamide is CCCS(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3nc[nH]c23)c1Cl.CCS(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3nc[nH]c23)c1F.CS(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3nc[nH]c23)c1F.O=S(=O)(CCCF)Nc1ccc(Cl)c(Nc2ncccc2-c2ncnc3nc[nH]c23)c1F.O=S(=O)(CCCF)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3nc[nH]c23)c1F.O=S(=O)(CCl)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3nc[nH]c23)c1F.
What is the InChIKey of 1-chloro-N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]methanesulfonamide;N-[4-chloro-2-fluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3-fluoropropane-1-sulfonamide;N-[2-chloro-4-fluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]ethanesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3-fluoropropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]methanesulfonamide?
The InChIKey is AXJQEDFFTDMZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF2N7O2S.C19H17ClFN7O2S.C19H16F3N7O2S.C18H15F2N7O2S.C17H12ClF2N7O2S.C17H13F2N7O2S/c20-12-4-5-13(29-32(30,31)8-2-6-21)14(22)16(12)28-18-11(3-1-7-23-18)15-17-19(26-9-24-15)27-10-25-17;1-2-8-31(29,30)28-13-6-5-12(21)16(14(13)20)27-18-11(4-3-7-22-18)15-17-19(25-9-23-15)26-10-24-17;20-6-2-8-32(30,31)29-13-5-4-12(21)16(14(13)22)28-18-11(3-1-7-23-18)15-17-19(26-9-24-15)27-10-25-17;1-2-30(28,29)27-12-6-5-11(19)15(13(12)20)26-17-10(4-3-7-21-17)14-16-18(24-8-22-14)25-9-23-16;18-6-30(28,29)27-11-4-3-10(19)14(12(11)20)26-16-9(2-1-5-21-16)13-15-17(24-7-22-13)25-8-23-15;1-29(27,28)26-11-5-4-10(18)14(12(11)19)25-16-9(3-2-6-20-16)13-15-17(23-7-21-13)24-8-22-15/h1,3-5,7,9-10,29H,2,6,8H2,(H,23,28)(H,24,25,26,27);3-7,9-10,28H,2,8H2,1H3,(H,22,27)(H,23,24,25,26);1,3-5,7,9-10,29H,2,6,8H2,(H,23,28)(H,24,25,26,27);3-9,27H,2H2,1H3,(H,21,26)(H,22,23,24,25);1-5,7-8,27H,6H2,(H,21,26)(H,22,23,24,25);2-8,26H,1H3,(H,20,25)(H,21,22,23,24).
What are the key properties of 1-chloro-N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]methanesulfonamide;N-[4-chloro-2-fluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3-fluoropropane-1-sulfonamide;N-[2-chloro-4-fluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]ethanesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3-fluoropropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]methanesulfonamide?
1-chloro-N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]methanesulfonamide;N-[4-chloro-2-fluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3-fluoropropane-1-sulfonamide;N-[2-chloro-4-fluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]ethanesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3-fluoropropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]methanesulfonamide has a molecular weight of 2705.93 g/mol, XLogP of 21.07, 40 rotatable bonds, 18 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]methanesulfonamide;N-[4-chloro-2-fluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3-fluoropropane-1-sulfonamide;N-[2-chloro-4-fluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]ethanesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3-fluoropropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]methanesulfonamide is sourced from PubChem (CID 157260387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).