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

C138H129Cl10N35O12S5 — CID 158021393

IUPACN-(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
SMILESO=C(NS(=O)(=O)C1CCCCC1)N1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1.O=C(NS(=O)(=O)c1ccccc1)N1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1.O=S(=O)(NC1CCCCC1)N1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1.O=S(=O)(Nc1ccccc1)N1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1.O=S(=O)(Nc1ccccc1)NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C28H29Cl2N7O3S.C28H23Cl2N7O3S.C28H25Cl2N7O2S.C27H29Cl2N7O2S.C27H23Cl2N7O2S/c2*29-19-10-12-20(13-11-19)37-25(22-8-4-5-9-23(22)30)33-24-26(31-18-32-27(24)37)35-14-16-36(17-15-35)28(38)34-41(39,40)21-6-2-1-3-7-21;29-19-10-12-22(13-11-19)37-26(23-8-4-5-9-24(23)30)33-25-27(31-18-32-28(25)37)36-16-14-21(15-17-36)35-40(38,39)34-20-6-2-1-3-7-20;2*28-19-10-12-21(13-11-19)36-25(22-8-4-5-9-23(22)29)32-24-26(30-18-31-27(24)36)34-14-16-35(17-15-34)39(37,38)33-20-6-2-1-3-7-20/h4-5,8-13,18,21H,1-3,6-7,14-17H2,(H,34,38);1-13,18H,14-17H2,(H,34,38);1-13,18,21,34-35H,14-17H2;4-5,8-13,18,20,33H,1-3,6-7,14-17H2;1-13,18,33H,14-17H2
InChIKeyFGCIZUSECOGKFJ-UHFFFAOYSA-N
MW2984.65 g/mol
LogP26.34
Rot. Bonds29

About 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

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 (PubChem CID 158021393) has the molecular formula C138H129Cl10N35O12S5 and a molecular weight of 2984.65 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID158021393
Molecular FormulaC138H129Cl10N35O12S5
Molecular Weight2984.65 g/mol
Exact Mass2977.60
IUPAC NameN-(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
SMILESO=C(NS(=O)(=O)C1CCCCC1)N1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1.O=C(NS(=O)(=O)c1ccccc1)N1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1.O=S(=O)(NC1CCCCC1)N1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1.O=S(=O)(Nc1ccccc1)N1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1.O=S(=O)(Nc1ccccc1)NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C28H29Cl2N7O3S.C28H23Cl2N7O3S.C28H25Cl2N7O2S.C27H29Cl2N7O2S.C27H23Cl2N7O2S/c2*29-19-10-12-20(13-11-19)37-25(22-8-4-5-9-23(22)30)33-24-26(31-18-32-27(24)37)35-14-16-36(17-15-35)28(38)34-41(39,40)21-6-2-1-3-7-21;29-19-10-12-22(13-11-19)37-26(23-8-4-5-9-24(23)30)33-25-27(31-18-32-28(25)37)36-16-14-21(15-17-36)35-40(38,39)34-20-6-2-1-3-7-20;2*28-19-10-12-21(13-11-19)36-25(22-8-4-5-9-23(22)29)32-24-26(30-18-31-27(24)36)34-14-16-35(17-15-34)39(37,38)33-20-6-2-1-3-7-20/h4-5,8-13,18,21H,1-3,6-7,14-17H2,(H,34,38);1-13,18H,14-17H2,(H,34,38);1-13,18,21,34-35H,14-17H2;4-5,8-13,18,20,33H,1-3,6-7,14-17H2;1-13,18,33H,14-17H2
InChIKeyFGCIZUSECOGKFJ-UHFFFAOYSA-N
XLogP26.34
TPSA524.18 Ų
H-Bond Donors6
H-Bond Acceptors37
Rotatable Bonds29
Heavy Atoms200
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002984.65
LogP ≤ 526.34
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1037

Analyze 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 with MolForge

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Related Compounds

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
1-(Benzenesulfonyl)-3-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]urea
CID 135164611
N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-ethylmethanesulfonamide;1-[4-[[2-(4-chlorophenyl)-6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]thiomorpholine;1-[4-[[2-(2,4-dichlorophenyl)-6-(1,1-dioxothiazinan-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;N-[2-(2,4-dichlorophenyl)-3-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide
CID 157150454
3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)-N,N-dimethylimidazo[1,2-a]pyridine-6-sulfonamide;N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-ethylmethanesulfonamide;1-[4-[[2-(4-chlorophenyl)-6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]thiomorpholine;1-[4-[[2-(2,4-dichlorophenyl)-6-(1,1-dioxothiazinan-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone
CID 157213147
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
3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)-N,N-dimethylimidazo[1,2-a]pyridine-6-sulfonamide;N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-ethylmethanesulfonamide;1-[4-[[2-(4-chlorophenyl)-6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]thiomorpholine;1-[4-[[2-(2,4-dichlorophenyl)-6-(1,1-dioxothiazinan-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]ethanone
CID 157500196
3-Chloro-4-methylbenzenesulfonyl chloride;bis(3-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-2-(2-chlorophenyl)imidazo[4,5-b]pyridine);2-(2-chlorophenyl)-3-piperidin-4-ylimidazo[4,5-b]pyridine
CID 157558223
N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]ethanesulfonamide;N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-2-methoxyethanesulfonamide;N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylethanesulfonamide;bis(N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]propane-2-sulfonamide)
CID 157572116
3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)-N,N-dimethylimidazo[1,2-a]pyridine-6-sulfonamide;N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-6-yl]-N-methylmethanesulfonamide;2-(4-chlorophenyl)-6-cyclopropyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyrazine;N-[2-(2,4-dichlorophenyl)-3-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;1-[4-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]ethanone
CID 157590067
1,3-Bis[2-[4-(2-ethyl-4,6-dimethylimidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]urea;2-[4-(2-ethyl-4,6-dimethylimidazo[4,5-c]pyridin-1-yl)phenyl]ethanamine;bis(1-[2-[4-(2-ethyl-4,6-dimethylimidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea)
CID 157854331
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(NS(=O)(=O)C1CCCCC1)N1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1.O=C(NS(=O)(=O)c1ccccc1)N1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1.O=S(=O)(NC1CCCCC1)N1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1.O=S(=O)(Nc1ccccc1)N1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1.O=S(=O)(Nc1ccccc1)NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1.
What is the InChIKey of 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?
The InChIKey is FGCIZUSECOGKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29Cl2N7O3S.C28H23Cl2N7O3S.C28H25Cl2N7O2S.C27H29Cl2N7O2S.C27H23Cl2N7O2S/c2*29-19-10-12-20(13-11-19)37-25(22-8-4-5-9-23(22)30)33-24-26(31-18-32-27(24)37)35-14-16-36(17-15-35)28(38)34-41(39,40)21-6-2-1-3-7-21;29-19-10-12-22(13-11-19)37-26(23-8-4-5-9-24(23)30)33-25-27(31-18-32-28(25)37)36-16-14-21(15-17-36)35-40(38,39)34-20-6-2-1-3-7-20;2*28-19-10-12-21(13-11-19)36-25(22-8-4-5-9-23(22)29)32-24-26(30-18-31-27(24)36)34-14-16-35(17-15-34)39(37,38)33-20-6-2-1-3-7-20/h4-5,8-13,18,21H,1-3,6-7,14-17H2,(H,34,38);1-13,18H,14-17H2,(H,34,38);1-13,18,21,34-35H,14-17H2;4-5,8-13,18,20,33H,1-3,6-7,14-17H2;1-13,18,33H,14-17H2.
What are the key properties of 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?
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 has a molecular weight of 2984.65 g/mol, XLogP of 26.34, 29 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158021393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).