5-benzyl-12-(4-chlorophenyl)sulfonyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;5-tert-butyl-12-(4-chlorophenyl)sulfonyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;12-(4-chlorophenyl)sulfonyl-5-cyclohexyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;12-(4-chlorophenyl)sulfonyl-5-methyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;16-(4-chlorophenyl)sulfonyl-4,6,8,9,16-pentazatetracyclo[10.3.1.02,10.05,9]hexadeca-2(10),3,5,7-tetraene;16-(4-chlorophenyl)sulfonyl-4-phenyl-8,9,16-triaza-4-azoniatetracyclo[10.3.1.02,10.05,9]hexadeca-2(10),3,5,7-tetraene;16-(4-chlorophenyl)sulfonyl-4,8,9,16-tetrazatetracyclo[10.3.1.02,10.05,9]hexadeca-2(10),3,5,7-tetraene;13-(4-chlorophenyl)sulfonyl-4,6,13-triazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-5-amine

C153H162Cl8N29O16S8+ — CID 160908901

IUPAC5-benzyl-12-(4-chlorophenyl)sulfonyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;5-tert-butyl-12-(4-chlorophenyl)sulfonyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;12-(4-chlorophenyl)sulfonyl-5-cyclohexyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;12-(4-chlorophenyl)sulfonyl-5-methyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;16-(4-chlorophenyl)sulfonyl-4,6,8,9,16-pentazatetracyclo[10.3.1.02,10.05,9]hexadeca-2(10),3,5,7-tetraene;16-(4-chlorophenyl)sulfonyl-4-phenyl-8,9,16-triaza-4-azoniatetracyclo[10.3.1.02,10.05,9]hexadeca-2(10),3,5,7-tetraene;16-(4-chlorophenyl)sulfonyl-4,8,9,16-tetrazatetracyclo[10.3.1.02,10.05,9]hexadeca-2(10),3,5,7-tetraene;13-(4-chlorophenyl)sulfonyl-4,6,13-triazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-5-amine
SMILESCC(C)(C)n1ncc2c1CC1CCCC2N1S(=O)(=O)c1ccc(Cl)cc1.Cn1ncc2c1CC1CCCC2N1S(=O)(=O)c1ccc(Cl)cc1.Nc1ncc2c(n1)CC1CCCC2N1S(=O)(=O)c1ccc(Cl)cc1.O=S(=O)(c1ccc(Cl)cc1)N1C2CCCC1c1c[n+](-c3ccccc3)c3ccnn3c1C2.O=S(=O)(c1ccc(Cl)cc1)N1C2CCCC1c1cnc3ccnn3c1C2.O=S(=O)(c1ccc(Cl)cc1)N1C2CCCC1c1cnc3ncnn3c1C2.O=S(=O)(c1ccc(Cl)cc1)N1C2CCCC1c1cnn(C3CCCCC3)c1C2.O=S(=O)(c1ccc(Cl)cc1)N1C2CCCC1c1cnn(Cc3ccccc3)c1C2
InChIInChI=1S/C24H22ClN4O2S.C22H22ClN3O2S.C21H26ClN3O2S.C19H24ClN3O2S.C18H17ClN4O2S.C17H16ClN5O2S.C16H17ClN4O2S.C16H18ClN3O2S/c25-17-9-11-20(12-10-17)32(30,31)29-19-7-4-8-22(29)21-16-27(18-5-2-1-3-6-18)24-13-14-26-28(24)23(21)15-19;23-17-9-11-19(12-10-17)29(27,28)26-18-7-4-8-21(26)20-14-24-25(22(20)13-18)15-16-5-2-1-3-6-16;22-15-9-11-18(12-10-15)28(26,27)25-17-7-4-8-20(25)19-14-23-24(21(19)13-17)16-5-2-1-3-6-16;1-19(2,3)23-18-11-14-5-4-6-17(16(18)12-21-23)22(14)26(24,25)15-9-7-13(20)8-10-15;19-12-4-6-14(7-5-12)26(24,25)23-13-2-1-3-16(23)15-11-20-18-8-9-21-22(18)17(15)10-13;18-11-4-6-13(7-5-11)26(24,25)23-12-2-1-3-15(23)14-9-19-17-20-10-21-22(17)16(14)8-12;17-10-4-6-12(7-5-10)24(22,23)21-11-2-1-3-15(21)13-9-19-16(18)20-14(13)8-11;1-19-16-9-12-3-2-4-15(14(16)10-18-19)20(12)23(21,22)13-7-5-11(17)6-8-13/h1-3,5-6,9-14,16,19,22H,4,7-8,15H2;1-3,5-6,9-12,14,18,21H,4,7-8,13,15H2;9-12,14,16-17,20H,1-8,13H2;7-10,12,14,17H,4-6,11H2,1-3H3;4-9,11,13,16H,1-3,10H2;4-7,9-10,12,15H,1-3,8H2;4-7,9,11,15H,1-3,8H2,(H2,18,19,20);5-8,10,12,15H,2-4,9H2,1H3/q+1;;;;;;;
InChIKeyPBPKSXBTMDHTDW-UHFFFAOYSA-N
MW3203.33 g/mol
LogP28.85
Rot. Bonds20

About 5-benzyl-12-(4-chlorophenyl)sulfonyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;5-tert-butyl-12-(4-chlorophenyl)sulfonyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;12-(4-chlorophenyl)sulfonyl-5-cyclohexyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;12-(4-chlorophenyl)sulfonyl-5-methyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;16-(4-chlorophenyl)sulfonyl-4,6,8,9,16-pentazatetracyclo[10.3.1.02,10.05,9]hexadeca-2(10),3,5,7-tetraene;16-(4-chlorophenyl)sulfonyl-4-phenyl-8,9,16-triaza-4-azoniatetracyclo[10.3.1.02,10.05,9]hexadeca-2(10),3,5,7-tetraene;16-(4-chlorophenyl)sulfonyl-4,8,9,16-tetrazatetracyclo[10.3.1.02,10.05,9]hexadeca-2(10),3,5,7-tetraene;13-(4-chlorophenyl)sulfonyl-4,6,13-triazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-5-amine

5-benzyl-12-(4-chlorophenyl)sulfonyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;5-tert-butyl-12-(4-chlorophenyl)sulfonyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;12-(4-chlorophenyl)sulfonyl-5-cyclohexyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;12-(4-chlorophenyl)sulfonyl-5-methyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;16-(4-chlorophenyl)sulfonyl-4,6,8,9,16-pentazatetracyclo[10.3.1.02,10.05,9]hexadeca-2(10),3,5,7-tetraene;16-(4-chlorophenyl)sulfonyl-4-phenyl-8,9,16-triaza-4-azoniatetracyclo[10.3.1.02,10.05,9]hexadeca-2(10),3,5,7-tetraene;16-(4-chlorophenyl)sulfonyl-4,8,9,16-tetrazatetracyclo[10.3.1.02,10.05,9]hexadeca-2(10),3,5,7-tetraene;13-(4-chlorophenyl)sulfonyl-4,6,13-triazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-5-amine (PubChem CID 160908901) has the molecular formula C153H162Cl8N29O16S8+ and a molecular weight of 3203.33 g/mol. Its IUPAC name is 5-benzyl-12-(4-chlorophenyl)sulfonyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;5-tert-butyl-12-(4-chlorophenyl)sulfonyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;12-(4-chlorophenyl)sulfonyl-5-cyclohexyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;12-(4-chlorophenyl)sulfonyl-5-methyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;16-(4-chlorophenyl)sulfonyl-4,6,8,9,16-pentazatetracyclo[10.3.1.02,10.05,9]hexadeca-2(10),3,5,7-tetraene;16-(4-chlorophenyl)sulfonyl-4-phenyl-8,9,16-triaza-4-azoniatetracyclo[10.3.1.02,10.05,9]hexadeca-2(10),3,5,7-tetraene;16-(4-chlorophenyl)sulfonyl-4,8,9,16-tetrazatetracyclo[10.3.1.02,10.05,9]hexadeca-2(10),3,5,7-tetraene;13-(4-chlorophenyl)sulfonyl-4,6,13-triazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-5-amine.

Molecular Properties

Compound Name5-benzyl-12-(4-chlorophenyl)sulfonyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;5-tert-butyl-12-(4-chlorophenyl)sulfonyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;12-(4-chlorophenyl)sulfonyl-5-cyclohexyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;12-(4-chlorophenyl)sulfonyl-5-methyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;16-(4-chlorophenyl)sulfonyl-4,6,8,9,16-pentazatetracyclo[10.3.1.02,10.05,9]hexadeca-2(10),3,5,7-tetraene;16-(4-chlorophenyl)sulfonyl-4-phenyl-8,9,16-triaza-4-azoniatetracyclo[10.3.1.02,10.05,9]hexadeca-2(10),3,5,7-tetraene;16-(4-chlorophenyl)sulfonyl-4,8,9,16-tetrazatetracyclo[10.3.1.02,10.05,9]hexadeca-2(10),3,5,7-tetraene;13-(4-chlorophenyl)sulfonyl-4,6,13-triazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-5-amine
PubChem CID160908901
Molecular FormulaC153H162Cl8N29O16S8+
Molecular Weight3203.33 g/mol
Exact Mass3196.80
IUPAC Name5-benzyl-12-(4-chlorophenyl)sulfonyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;5-tert-butyl-12-(4-chlorophenyl)sulfonyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;12-(4-chlorophenyl)sulfonyl-5-cyclohexyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;12-(4-chlorophenyl)sulfonyl-5-methyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;16-(4-chlorophenyl)sulfonyl-4,6,8,9,16-pentazatetracyclo[10.3.1.02,10.05,9]hexadeca-2(10),3,5,7-tetraene;16-(4-chlorophenyl)sulfonyl-4-phenyl-8,9,16-triaza-4-azoniatetracyclo[10.3.1.02,10.05,9]hexadeca-2(10),3,5,7-tetraene;16-(4-chlorophenyl)sulfonyl-4,8,9,16-tetrazatetracyclo[10.3.1.02,10.05,9]hexadeca-2(10),3,5,7-tetraene;13-(4-chlorophenyl)sulfonyl-4,6,13-triazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-5-amine
SMILESCC(C)(C)n1ncc2c1CC1CCCC2N1S(=O)(=O)c1ccc(Cl)cc1.Cn1ncc2c1CC1CCCC2N1S(=O)(=O)c1ccc(Cl)cc1.Nc1ncc2c(n1)CC1CCCC2N1S(=O)(=O)c1ccc(Cl)cc1.O=S(=O)(c1ccc(Cl)cc1)N1C2CCCC1c1c[n+](-c3ccccc3)c3ccnn3c1C2.O=S(=O)(c1ccc(Cl)cc1)N1C2CCCC1c1cnc3ccnn3c1C2.O=S(=O)(c1ccc(Cl)cc1)N1C2CCCC1c1cnc3ncnn3c1C2.O=S(=O)(c1ccc(Cl)cc1)N1C2CCCC1c1cnn(C3CCCCC3)c1C2.O=S(=O)(c1ccc(Cl)cc1)N1C2CCCC1c1cnn(Cc3ccccc3)c1C2
InChIInChI=1S/C24H22ClN4O2S.C22H22ClN3O2S.C21H26ClN3O2S.C19H24ClN3O2S.C18H17ClN4O2S.C17H16ClN5O2S.C16H17ClN4O2S.C16H18ClN3O2S/c25-17-9-11-20(12-10-17)32(30,31)29-19-7-4-8-22(29)21-16-27(18-5-2-1-3-6-18)24-13-14-26-28(24)23(21)15-19;23-17-9-11-19(12-10-17)29(27,28)26-18-7-4-8-21(26)20-14-24-25(22(20)13-18)15-16-5-2-1-3-6-16;22-15-9-11-18(12-10-15)28(26,27)25-17-7-4-8-20(25)19-14-23-24(21(19)13-17)16-5-2-1-3-6-16;1-19(2,3)23-18-11-14-5-4-6-17(16(18)12-21-23)22(14)26(24,25)15-9-7-13(20)8-10-15;19-12-4-6-14(7-5-12)26(24,25)23-13-2-1-3-16(23)15-11-20-18-8-9-21-22(18)17(15)10-13;18-11-4-6-13(7-5-11)26(24,25)23-12-2-1-3-15(23)14-9-19-17-20-10-21-22(17)16(14)8-12;17-10-4-6-12(7-5-10)24(22,23)21-11-2-1-3-15(21)13-9-19-16(18)20-14(13)8-11;1-19-16-9-12-3-2-4-15(14(16)10-18-19)20(12)23(21,22)13-7-5-11(17)6-8-13/h1-3,5-6,9-14,16,19,22H,4,7-8,15H2;1-3,5-6,9-12,14,18,21H,4,7-8,13,15H2;9-12,14,16-17,20H,1-8,13H2;7-10,12,14,17H,4-6,11H2,1-3H3;4-9,11,13,16H,1-3,10H2;4-7,9-10,12,15H,1-3,8H2;4-7,9,11,15H,1-3,8H2,(H2,18,19,20);5-8,10,12,15H,2-4,9H2,1H3/q+1;;;;;;;
InChIKeyPBPKSXBTMDHTDW-UHFFFAOYSA-N
XLogP28.85
TPSA516.57 Ų
H-Bond Donors1
H-Bond Acceptors36
Rotatable Bonds20
Heavy Atoms214
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003203.33
LogP ≤ 528.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 5-benzyl-12-(4-chlorophenyl)sulfonyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;5-tert-butyl-12-(4-chlorophenyl)sulfonyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;12-(4-chlorophenyl)sulfonyl-5-cyclohexyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;12-(4-chlorophenyl)sulfonyl-5-methyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;16-(4-chlorophenyl)sulfonyl-4,6,8,9,16-pentazatetracyclo[10.3.1.02,10.05,9]hexadeca-2(10),3,5,7-tetraene;16-(4-chlorophenyl)sulfonyl-4-phenyl-8,9,16-triaza-4-azoniatetracyclo[10.3.1.02,10.05,9]hexadeca-2(10),3,5,7-tetraene;16-(4-chlorophenyl)sulfonyl-4,8,9,16-tetrazatetracyclo[10.3.1.02,10.05,9]hexadeca-2(10),3,5,7-tetraene;13-(4-chlorophenyl)sulfonyl-4,6,13-triazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-5-amine with MolForge

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Related Compounds

5-[1-(3-Chlorophenyl)sulfonylpyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-[(3-methylphenyl)methylsulfonyl]pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-(2-methylpropylsulfonyl)pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-5-[1-[[3-(trifluoromethyl)phenyl]methylsulfonyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 161548176
5-(3-chlorophenyl)sulfonyl-N,8-dimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-4-amine;5-(3-chlorophenyl)sulfonyl-N,11-dimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-4-amine;5-(3-chlorophenyl)sulfonyl-N-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-4-amine;5-(3-chlorophenyl)sulfonyl-N,8,11-trimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-4-amine
CID 157390144
5-(3-Chlorophenyl)sulfonyl-4,8-dimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(3-chlorophenyl)sulfonyl-4,11-dimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(3-chlorophenyl)sulfonyl-4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(3-chlorophenyl)sulfonyl-4,8,11-trimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene
CID 157411909
5-(Benzenesulfonyl)-4,8-dimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(benzenesulfonyl)-4,11-dimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(benzenesulfonyl)-4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(benzenesulfonyl)-4,8,11-trimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(3-chlorophenyl)sulfonyl-4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene
CID 157962671
5-(3-chlorophenyl)sulfonyl-N,8-dimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-4-amine;5-(3-chlorophenyl)sulfonyl-N,11-dimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-4-amine;5-(3-chlorophenyl)sulfonyl-N,8,11-trimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-4-amine;5-(3-fluorophenyl)sulfonyl-N,8-dimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-4-amine;5-(3-fluorophenyl)sulfonyl-N-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-4-amine
CID 157994092
5-[1-(2-Chlorophenyl)sulfonylpyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-cyclohexylsulfonylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-hexylsulfonylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-propylsulfonylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 158110478
5-(Benzenesulfonyl)-8-methyl-4-methylsulfanyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(benzenesulfonyl)-4-methylsulfanyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(3-chlorophenyl)sulfonyl-4,8-dimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(3-chlorophenyl)sulfonyl-4,11-dimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(3-chlorophenyl)sulfonyl-4,8,11-trimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene
CID 158288201
N-[4-[3-amino-1-[2-(diethylamino)ethyl]-6-methylpyrazolo[3,4-b]pyridin-4-yl]phenyl]-2-ethylbenzenesulfonamide;N-[4-[3-amino-1-[2-(dimethylamino)ethyl]-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]phenyl]-2-chloro-5-methylbenzenesulfonamide;N-[4-[3-amino-1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-4-yl]phenyl]-2-chloro-5-methylbenzenesulfonamide;N-[4-[3-amino-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-b]pyridin-4-yl]phenyl]benzenesulfonamide
CID 158411646
4-chloro-N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzenesulfonamide;4-chloro-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)benzenesulfonamide;N-[(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide;2,3,4,5,6-pentafluoro-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)benzenesulfonamide
CID 158534736
12-(4-Chlorophenyl)sulfonyl-3-methyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-diene;13-(4-chlorophenyl)sulfonyl-5-methyl-4,6,13-triazatricyclo[7.3.1.02,7]trideca-2,4,6-triene;16-(4-chlorophenyl)sulfonyl-7-phenyl-4,8,9,16-tetrazatetracyclo[10.3.1.02,10.05,9]hexadeca-2(10),3,5,7-tetraene;bis(12-(4-chlorophenyl)sulfonyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene);2-[12-(4-chlorophenyl)sulfonyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-dien-5-yl]ethanol;1-[12-(4-chlorophenyl)sulfonyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-dien-4-yl]ethanone;12-(4-chlorophenyl)sulfonyl-4,5,12-triazatricyclo[6.3.1.02,6]dodec-2(6)-en-3-one
CID 159076681
5-(Benzenesulfonyl)-8,11-dimethyl-4-methylsulfanyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(benzenesulfonyl)-11-methyl-4-methylsulfanyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(3-chlorophenyl)sulfonyl-8-methyl-4-methylsulfanyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(3-chlorophenyl)sulfonyl-11-methyl-4-methylsulfanyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(3-chlorophenyl)sulfonyl-4-methylsulfanyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene
CID 159504580
(4S)-5-(4-chlorophenyl)sulfonyl-4-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;(4R)-5-(4-chlorophenyl)sulfonyl-4-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;(6R)-5-(4-chlorophenyl)sulfonyl-6-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;(6S)-5-(4-chlorophenyl)sulfonyl-6-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 160733375

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-12-(4-chlorophenyl)sulfonyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;5-tert-butyl-12-(4-chlorophenyl)sulfonyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;12-(4-chlorophenyl)sulfonyl-5-cyclohexyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;12-(4-chlorophenyl)sulfonyl-5-methyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;16-(4-chlorophenyl)sulfonyl-4,6,8,9,16-pentazatetracyclo[10.3.1.02,10.05,9]hexadeca-2(10),3,5,7-tetraene;16-(4-chlorophenyl)sulfonyl-4-phenyl-8,9,16-triaza-4-azoniatetracyclo[10.3.1.02,10.05,9]hexadeca-2(10),3,5,7-tetraene;16-(4-chlorophenyl)sulfonyl-4,8,9,16-tetrazatetracyclo[10.3.1.02,10.05,9]hexadeca-2(10),3,5,7-tetraene;13-(4-chlorophenyl)sulfonyl-4,6,13-triazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-5-amine?
The IUPAC name of 5-benzyl-12-(4-chlorophenyl)sulfonyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;5-tert-butyl-12-(4-chlorophenyl)sulfonyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;12-(4-chlorophenyl)sulfonyl-5-cyclohexyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;12-(4-chlorophenyl)sulfonyl-5-methyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;16-(4-chlorophenyl)sulfonyl-4,6,8,9,16-pentazatetracyclo[10.3.1.02,10.05,9]hexadeca-2(10),3,5,7-tetraene;16-(4-chlorophenyl)sulfonyl-4-phenyl-8,9,16-triaza-4-azoniatetracyclo[10.3.1.02,10.05,9]hexadeca-2(10),3,5,7-tetraene;16-(4-chlorophenyl)sulfonyl-4,8,9,16-tetrazatetracyclo[10.3.1.02,10.05,9]hexadeca-2(10),3,5,7-tetraene;13-(4-chlorophenyl)sulfonyl-4,6,13-triazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-5-amine (CID 160908901) is 5-benzyl-12-(4-chlorophenyl)sulfonyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;5-tert-butyl-12-(4-chlorophenyl)sulfonyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;12-(4-chlorophenyl)sulfonyl-5-cyclohexyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;12-(4-chlorophenyl)sulfonyl-5-methyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;16-(4-chlorophenyl)sulfonyl-4,6,8,9,16-pentazatetracyclo[10.3.1.02,10.05,9]hexadeca-2(10),3,5,7-tetraene;16-(4-chlorophenyl)sulfonyl-4-phenyl-8,9,16-triaza-4-azoniatetracyclo[10.3.1.02,10.05,9]hexadeca-2(10),3,5,7-tetraene;16-(4-chlorophenyl)sulfonyl-4,8,9,16-tetrazatetracyclo[10.3.1.02,10.05,9]hexadeca-2(10),3,5,7-tetraene;13-(4-chlorophenyl)sulfonyl-4,6,13-triazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-5-amine.
What is the SMILES notation for 5-benzyl-12-(4-chlorophenyl)sulfonyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;5-tert-butyl-12-(4-chlorophenyl)sulfonyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;12-(4-chlorophenyl)sulfonyl-5-cyclohexyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;12-(4-chlorophenyl)sulfonyl-5-methyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;16-(4-chlorophenyl)sulfonyl-4,6,8,9,16-pentazatetracyclo[10.3.1.02,10.05,9]hexadeca-2(10),3,5,7-tetraene;16-(4-chlorophenyl)sulfonyl-4-phenyl-8,9,16-triaza-4-azoniatetracyclo[10.3.1.02,10.05,9]hexadeca-2(10),3,5,7-tetraene;16-(4-chlorophenyl)sulfonyl-4,8,9,16-tetrazatetracyclo[10.3.1.02,10.05,9]hexadeca-2(10),3,5,7-tetraene;13-(4-chlorophenyl)sulfonyl-4,6,13-triazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-5-amine?
The canonical SMILES for 5-benzyl-12-(4-chlorophenyl)sulfonyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;5-tert-butyl-12-(4-chlorophenyl)sulfonyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;12-(4-chlorophenyl)sulfonyl-5-cyclohexyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;12-(4-chlorophenyl)sulfonyl-5-methyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;16-(4-chlorophenyl)sulfonyl-4,6,8,9,16-pentazatetracyclo[10.3.1.02,10.05,9]hexadeca-2(10),3,5,7-tetraene;16-(4-chlorophenyl)sulfonyl-4-phenyl-8,9,16-triaza-4-azoniatetracyclo[10.3.1.02,10.05,9]hexadeca-2(10),3,5,7-tetraene;16-(4-chlorophenyl)sulfonyl-4,8,9,16-tetrazatetracyclo[10.3.1.02,10.05,9]hexadeca-2(10),3,5,7-tetraene;13-(4-chlorophenyl)sulfonyl-4,6,13-triazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-5-amine is CC(C)(C)n1ncc2c1CC1CCCC2N1S(=O)(=O)c1ccc(Cl)cc1.Cn1ncc2c1CC1CCCC2N1S(=O)(=O)c1ccc(Cl)cc1.Nc1ncc2c(n1)CC1CCCC2N1S(=O)(=O)c1ccc(Cl)cc1.O=S(=O)(c1ccc(Cl)cc1)N1C2CCCC1c1c[n+](-c3ccccc3)c3ccnn3c1C2.O=S(=O)(c1ccc(Cl)cc1)N1C2CCCC1c1cnc3ccnn3c1C2.O=S(=O)(c1ccc(Cl)cc1)N1C2CCCC1c1cnc3ncnn3c1C2.O=S(=O)(c1ccc(Cl)cc1)N1C2CCCC1c1cnn(C3CCCCC3)c1C2.O=S(=O)(c1ccc(Cl)cc1)N1C2CCCC1c1cnn(Cc3ccccc3)c1C2.
What is the InChIKey of 5-benzyl-12-(4-chlorophenyl)sulfonyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;5-tert-butyl-12-(4-chlorophenyl)sulfonyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;12-(4-chlorophenyl)sulfonyl-5-cyclohexyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;12-(4-chlorophenyl)sulfonyl-5-methyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;16-(4-chlorophenyl)sulfonyl-4,6,8,9,16-pentazatetracyclo[10.3.1.02,10.05,9]hexadeca-2(10),3,5,7-tetraene;16-(4-chlorophenyl)sulfonyl-4-phenyl-8,9,16-triaza-4-azoniatetracyclo[10.3.1.02,10.05,9]hexadeca-2(10),3,5,7-tetraene;16-(4-chlorophenyl)sulfonyl-4,8,9,16-tetrazatetracyclo[10.3.1.02,10.05,9]hexadeca-2(10),3,5,7-tetraene;13-(4-chlorophenyl)sulfonyl-4,6,13-triazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-5-amine?
The InChIKey is PBPKSXBTMDHTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN4O2S.C22H22ClN3O2S.C21H26ClN3O2S.C19H24ClN3O2S.C18H17ClN4O2S.C17H16ClN5O2S.C16H17ClN4O2S.C16H18ClN3O2S/c25-17-9-11-20(12-10-17)32(30,31)29-19-7-4-8-22(29)21-16-27(18-5-2-1-3-6-18)24-13-14-26-28(24)23(21)15-19;23-17-9-11-19(12-10-17)29(27,28)26-18-7-4-8-21(26)20-14-24-25(22(20)13-18)15-16-5-2-1-3-6-16;22-15-9-11-18(12-10-15)28(26,27)25-17-7-4-8-20(25)19-14-23-24(21(19)13-17)16-5-2-1-3-6-16;1-19(2,3)23-18-11-14-5-4-6-17(16(18)12-21-23)22(14)26(24,25)15-9-7-13(20)8-10-15;19-12-4-6-14(7-5-12)26(24,25)23-13-2-1-3-16(23)15-11-20-18-8-9-21-22(18)17(15)10-13;18-11-4-6-13(7-5-11)26(24,25)23-12-2-1-3-15(23)14-9-19-17-20-10-21-22(17)16(14)8-12;17-10-4-6-12(7-5-10)24(22,23)21-11-2-1-3-15(21)13-9-19-16(18)20-14(13)8-11;1-19-16-9-12-3-2-4-15(14(16)10-18-19)20(12)23(21,22)13-7-5-11(17)6-8-13/h1-3,5-6,9-14,16,19,22H,4,7-8,15H2;1-3,5-6,9-12,14,18,21H,4,7-8,13,15H2;9-12,14,16-17,20H,1-8,13H2;7-10,12,14,17H,4-6,11H2,1-3H3;4-9,11,13,16H,1-3,10H2;4-7,9-10,12,15H,1-3,8H2;4-7,9,11,15H,1-3,8H2,(H2,18,19,20);5-8,10,12,15H,2-4,9H2,1H3/q+1;;;;;;;.
What are the key properties of 5-benzyl-12-(4-chlorophenyl)sulfonyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;5-tert-butyl-12-(4-chlorophenyl)sulfonyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;12-(4-chlorophenyl)sulfonyl-5-cyclohexyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;12-(4-chlorophenyl)sulfonyl-5-methyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;16-(4-chlorophenyl)sulfonyl-4,6,8,9,16-pentazatetracyclo[10.3.1.02,10.05,9]hexadeca-2(10),3,5,7-tetraene;16-(4-chlorophenyl)sulfonyl-4-phenyl-8,9,16-triaza-4-azoniatetracyclo[10.3.1.02,10.05,9]hexadeca-2(10),3,5,7-tetraene;16-(4-chlorophenyl)sulfonyl-4,8,9,16-tetrazatetracyclo[10.3.1.02,10.05,9]hexadeca-2(10),3,5,7-tetraene;13-(4-chlorophenyl)sulfonyl-4,6,13-triazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-5-amine?
5-benzyl-12-(4-chlorophenyl)sulfonyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;5-tert-butyl-12-(4-chlorophenyl)sulfonyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;12-(4-chlorophenyl)sulfonyl-5-cyclohexyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;12-(4-chlorophenyl)sulfonyl-5-methyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;16-(4-chlorophenyl)sulfonyl-4,6,8,9,16-pentazatetracyclo[10.3.1.02,10.05,9]hexadeca-2(10),3,5,7-tetraene;16-(4-chlorophenyl)sulfonyl-4-phenyl-8,9,16-triaza-4-azoniatetracyclo[10.3.1.02,10.05,9]hexadeca-2(10),3,5,7-tetraene;16-(4-chlorophenyl)sulfonyl-4,8,9,16-tetrazatetracyclo[10.3.1.02,10.05,9]hexadeca-2(10),3,5,7-tetraene;13-(4-chlorophenyl)sulfonyl-4,6,13-triazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-5-amine has a molecular weight of 3203.33 g/mol, XLogP of 28.85, 20 rotatable bonds, 1 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-12-(4-chlorophenyl)sulfonyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;5-tert-butyl-12-(4-chlorophenyl)sulfonyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;12-(4-chlorophenyl)sulfonyl-5-cyclohexyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;12-(4-chlorophenyl)sulfonyl-5-methyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene;16-(4-chlorophenyl)sulfonyl-4,6,8,9,16-pentazatetracyclo[10.3.1.02,10.05,9]hexadeca-2(10),3,5,7-tetraene;16-(4-chlorophenyl)sulfonyl-4-phenyl-8,9,16-triaza-4-azoniatetracyclo[10.3.1.02,10.05,9]hexadeca-2(10),3,5,7-tetraene;16-(4-chlorophenyl)sulfonyl-4,8,9,16-tetrazatetracyclo[10.3.1.02,10.05,9]hexadeca-2(10),3,5,7-tetraene;13-(4-chlorophenyl)sulfonyl-4,6,13-triazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-5-amine is sourced from PubChem (CID 160908901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).