3-(2-amino-3H-benzimidazol-5-yl)-6-(cyclohexylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-amino-1H-benzimidazol-4-yl)-6-(piperidin-4-ylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;4-[3-(aminomethyl)-4-methyl-2-(4H-triazol-5-yl)phenyl]cyclohexan-1-amine;3-(3-azaspiro[5.5]undecan-3-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;1-(azetidin-3-ylmethyl)-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;3-[4-(azetidin-3-yl)phenyl]-6-(piperidin-4-ylmethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide

C123H152F3N39O10S5 — CID 158690061

IUPAC3-(2-amino-3H-benzimidazol-5-yl)-6-(cyclohexylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-amino-1H-benzimidazol-4-yl)-6-(piperidin-4-ylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;4-[3-(aminomethyl)-4-methyl-2-(4H-triazol-5-yl)phenyl]cyclohexan-1-amine;3-(3-azaspiro[5.5]undecan-3-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;1-(azetidin-3-ylmethyl)-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;3-[4-(azetidin-3-yl)phenyl]-6-(piperidin-4-ylmethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESCS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CCN(CC4CNC4)CC3)cc2)c1-c1nn[nH]n1.Cc1ccc(C2CCC(N)CC2)c(C2=NN=NC2)c1CN.Cc1ccc(N2CCC3(CCCCC3)CC2)c(-c2nn[nH]n2)c1S(N)(=O)=O.NS(=O)(=O)c1c(CC2CCNCC2)ccc(-c2ccc(C3CNC3)cc2)c1-c1nn[nH]n1.Nc1nc2c(-c3ccc(CC4CCNCC4)c(S(N)(=O)=O)c3C3=NCN=N3)cccc2[nH]1.Nc1nc2ccc(-c3ccc(CC4CCCCC4)c(S(N)(=O)=O)c3C3=NCN=N3)cc2[nH]1
InChIInChI=1S/C24H27F3N6O2S.C22H27N7O2S.C22H25N7O2S.C21H24N8O2S.C18H26N6O2S.C16H23N5/c1-36(34,35)22-20(24(25,26)27)7-6-19(21(22)23-29-31-32-30-23)18-4-2-16(3-5-18)17-8-10-33(11-9-17)14-15-12-28-13-15;23-32(30,31)21-17(11-14-7-9-24-10-8-14)5-6-19(20(21)22-26-28-29-27-22)16-3-1-15(2-4-16)18-12-25-13-18;23-22-27-17-9-7-14(11-18(17)28-22)16-8-6-15(10-13-4-2-1-3-5-13)20(32(24,30)31)19(16)21-25-12-26-29-21;22-21-27-16-3-1-2-15(18(16)28-21)14-5-4-13(10-12-6-8-24-9-7-12)19(32(23,30)31)17(14)20-25-11-26-29-20;1-13-5-6-14(15(16(13)27(19,25)26)17-20-22-23-21-17)24-11-9-18(10-12-24)7-3-2-4-8-18;1-10-2-7-13(11-3-5-12(18)6-4-11)16(14(10)8-17)15-9-19-21-20-15/h2-7,15,17,28H,8-14H2,1H3,(H,29,30,31,32);1-6,14,18,24-25H,7-13H2,(H2,23,30,31)(H,26,27,28,29);6-9,11,13H,1-5,10,12H2,(H3,23,27,28)(H2,24,30,31);1-5,12,24H,6-11H2,(H3,22,27,28)(H2,23,30,31);5-6H,2-4,7-12H2,1H3,(H2,19,25,26)(H,20,21,22,23);2,7,11-12H,3-6,8-9,17-18H2,1H3
InChIKeyIGFPCVQXWXPXSC-UHFFFAOYSA-N
MW2554.16 g/mol
LogP15.67
Rot. Bonds28

About 3-(2-amino-3H-benzimidazol-5-yl)-6-(cyclohexylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-amino-1H-benzimidazol-4-yl)-6-(piperidin-4-ylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;4-[3-(aminomethyl)-4-methyl-2-(4H-triazol-5-yl)phenyl]cyclohexan-1-amine;3-(3-azaspiro[5.5]undecan-3-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;1-(azetidin-3-ylmethyl)-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;3-[4-(azetidin-3-yl)phenyl]-6-(piperidin-4-ylmethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide

3-(2-amino-3H-benzimidazol-5-yl)-6-(cyclohexylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-amino-1H-benzimidazol-4-yl)-6-(piperidin-4-ylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;4-[3-(aminomethyl)-4-methyl-2-(4H-triazol-5-yl)phenyl]cyclohexan-1-amine;3-(3-azaspiro[5.5]undecan-3-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;1-(azetidin-3-ylmethyl)-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;3-[4-(azetidin-3-yl)phenyl]-6-(piperidin-4-ylmethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 158690061) has the molecular formula C123H152F3N39O10S5 and a molecular weight of 2554.16 g/mol. Its IUPAC name is 3-(2-amino-3H-benzimidazol-5-yl)-6-(cyclohexylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-amino-1H-benzimidazol-4-yl)-6-(piperidin-4-ylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;4-[3-(aminomethyl)-4-methyl-2-(4H-triazol-5-yl)phenyl]cyclohexan-1-amine;3-(3-azaspiro[5.5]undecan-3-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;1-(azetidin-3-ylmethyl)-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;3-[4-(azetidin-3-yl)phenyl]-6-(piperidin-4-ylmethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(2-amino-3H-benzimidazol-5-yl)-6-(cyclohexylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-amino-1H-benzimidazol-4-yl)-6-(piperidin-4-ylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;4-[3-(aminomethyl)-4-methyl-2-(4H-triazol-5-yl)phenyl]cyclohexan-1-amine;3-(3-azaspiro[5.5]undecan-3-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;1-(azetidin-3-ylmethyl)-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;3-[4-(azetidin-3-yl)phenyl]-6-(piperidin-4-ylmethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID158690061
Molecular FormulaC123H152F3N39O10S5
Molecular Weight2554.16 g/mol
Exact Mass2552.11
IUPAC Name3-(2-amino-3H-benzimidazol-5-yl)-6-(cyclohexylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-amino-1H-benzimidazol-4-yl)-6-(piperidin-4-ylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;4-[3-(aminomethyl)-4-methyl-2-(4H-triazol-5-yl)phenyl]cyclohexan-1-amine;3-(3-azaspiro[5.5]undecan-3-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;1-(azetidin-3-ylmethyl)-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;3-[4-(azetidin-3-yl)phenyl]-6-(piperidin-4-ylmethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESCS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CCN(CC4CNC4)CC3)cc2)c1-c1nn[nH]n1.Cc1ccc(C2CCC(N)CC2)c(C2=NN=NC2)c1CN.Cc1ccc(N2CCC3(CCCCC3)CC2)c(-c2nn[nH]n2)c1S(N)(=O)=O.NS(=O)(=O)c1c(CC2CCNCC2)ccc(-c2ccc(C3CNC3)cc2)c1-c1nn[nH]n1.Nc1nc2c(-c3ccc(CC4CCNCC4)c(S(N)(=O)=O)c3C3=NCN=N3)cccc2[nH]1.Nc1nc2ccc(-c3ccc(CC4CCCCC4)c(S(N)(=O)=O)c3C3=NCN=N3)cc2[nH]1
InChIInChI=1S/C24H27F3N6O2S.C22H27N7O2S.C22H25N7O2S.C21H24N8O2S.C18H26N6O2S.C16H23N5/c1-36(34,35)22-20(24(25,26)27)7-6-19(21(22)23-29-31-32-30-23)18-4-2-16(3-5-18)17-8-10-33(11-9-17)14-15-12-28-13-15;23-32(30,31)21-17(11-14-7-9-24-10-8-14)5-6-19(20(21)22-26-28-29-27-22)16-3-1-15(2-4-16)18-12-25-13-18;23-22-27-17-9-7-14(11-18(17)28-22)16-8-6-15(10-13-4-2-1-3-5-13)20(32(24,30)31)19(16)21-25-12-26-29-21;22-21-27-16-3-1-2-15(18(16)28-21)14-5-4-13(10-12-6-8-24-9-7-12)19(32(23,30)31)17(14)20-25-11-26-29-20;1-13-5-6-14(15(16(13)27(19,25)26)17-20-22-23-21-17)24-11-9-18(10-12-24)7-3-2-4-8-18;1-10-2-7-13(11-3-5-12(18)6-4-11)16(14(10)8-17)15-9-19-21-20-15/h2-7,15,17,28H,8-14H2,1H3,(H,29,30,31,32);1-6,14,18,24-25H,7-13H2,(H2,23,30,31)(H,26,27,28,29);6-9,11,13H,1-5,10,12H2,(H3,23,27,28)(H2,24,30,31);1-5,12,24H,6-11H2,(H3,22,27,28)(H2,23,30,31);5-6H,2-4,7-12H2,1H3,(H2,19,25,26)(H,20,21,22,23);2,7,11-12H,3-6,8-9,17-18H2,1H3
InChIKeyIGFPCVQXWXPXSC-UHFFFAOYSA-N
XLogP15.67
TPSA765.44 Ų
H-Bond Donors17
H-Bond Acceptors40
Rotatable Bonds28
Heavy Atoms180
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002554.16
LogP ≤ 515.67
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1040

Analyze 3-(2-amino-3H-benzimidazol-5-yl)-6-(cyclohexylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-amino-1H-benzimidazol-4-yl)-6-(piperidin-4-ylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;4-[3-(aminomethyl)-4-methyl-2-(4H-triazol-5-yl)phenyl]cyclohexan-1-amine;3-(3-azaspiro[5.5]undecan-3-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;1-(azetidin-3-ylmethyl)-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;3-[4-(azetidin-3-yl)phenyl]-6-(piperidin-4-ylmethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide with MolForge

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Related Compounds

2-amino-7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carbonitrile;N'-(3-aminopropyl)-4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]benzenecarboximidamide;6-fluoro-4-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine;4-methyl-7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine;4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-N'-pyrrolidin-3-ylbenzenecarboximidamide;4-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine
CID 159158839
3-(2-azaspiro[3.5]nonan-2-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(7-azaspiro[3.5]nonan-7-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(3-azaspiro[5.5]undecan-3-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(dimethylamino)-6-methyl-2-(1H-1,2,4-triazol-5-yl)benzenesulfonamide;6-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-piperidin-4-ylpiperidine
CID 159475200
3-fluoro-5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyridin-2-amine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-indazol-3-amine;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyrimidin-2-amine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]quinolin-4-amine;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]quinolin-4-amine;3-(4-piperidin-4-ylphenyl)-6-propyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 159588387
5-[6-[4-(azetidin-3-yl)phenyl]-2-methylsulfonyl-3-(trifluoromethyl)phenyl]-3H-1,2,4-triazole;6-(4-cyclohexylphenyl)-2-(4,5-dihydro-3H-1,2,4-triazol-3-yl)-3-(4-piperidin-4-ylphenyl)benzenesulfonamide;4-[2-[4-(difluoromethyl)-3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]ethyl]cyclohexan-1-amine;5-[6-[4-(1,1-dimethylazetidin-1-ium-3-yl)phenyl]-2-methylsulfonyl-3-(trifluoromethyl)phenyl]-3H-1,2,4-triazole;6-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-1H-benzimidazol-2-amine;4-[2-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)-4-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-amine;3-[4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidine-1-carboximidamide;4-[4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-4-amine
CID 161662295
1-ethyl-5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]benzimidazol-2-amine;(7S)-5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-5-azaspiro[2.4]heptan-7-amine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]isoquinolin-1-amine;4-[3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]pyrimidin-2-amine;2-[1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanamine;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]quinazoline-2,4-diamine
CID 161944509
3-(2-amino-3H-benzimidazol-5-yl)-6-(cyclobutylmethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2-amino-3H-benzimidazol-5-yl)-6-(cyclohexylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-amino-1H-benzimidazol-4-yl)-6-(piperidin-4-ylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;(2S)-3-methyl-1-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidin-1-yl]butan-2-amine;(2R)-3-methyl-1-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidin-1-yl]butan-2-amine;3-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidin-1-yl]propan-1-amine
CID 157796960
3-(2-amino-3H-benzimidazol-5-yl)-6-(cyclobutylmethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2-amino-3H-benzimidazol-5-yl)-6-(cyclohexylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-amino-1H-benzimidazol-4-yl)-6-(piperidin-4-ylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-[4-(azetidin-3-yl)phenyl]-6-[[1-(2-oxopropyl)piperidin-4-yl]methyl]-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-[4-[1-(2-hydroxyethyl)azetidin-3-yl]phenyl]-6-(piperidin-4-ylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 161553561

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-3H-benzimidazol-5-yl)-6-(cyclohexylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-amino-1H-benzimidazol-4-yl)-6-(piperidin-4-ylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;4-[3-(aminomethyl)-4-methyl-2-(4H-triazol-5-yl)phenyl]cyclohexan-1-amine;3-(3-azaspiro[5.5]undecan-3-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;1-(azetidin-3-ylmethyl)-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;3-[4-(azetidin-3-yl)phenyl]-6-(piperidin-4-ylmethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-(2-amino-3H-benzimidazol-5-yl)-6-(cyclohexylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-amino-1H-benzimidazol-4-yl)-6-(piperidin-4-ylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;4-[3-(aminomethyl)-4-methyl-2-(4H-triazol-5-yl)phenyl]cyclohexan-1-amine;3-(3-azaspiro[5.5]undecan-3-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;1-(azetidin-3-ylmethyl)-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;3-[4-(azetidin-3-yl)phenyl]-6-(piperidin-4-ylmethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (CID 158690061) is 3-(2-amino-3H-benzimidazol-5-yl)-6-(cyclohexylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-amino-1H-benzimidazol-4-yl)-6-(piperidin-4-ylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;4-[3-(aminomethyl)-4-methyl-2-(4H-triazol-5-yl)phenyl]cyclohexan-1-amine;3-(3-azaspiro[5.5]undecan-3-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;1-(azetidin-3-ylmethyl)-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;3-[4-(azetidin-3-yl)phenyl]-6-(piperidin-4-ylmethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-(2-amino-3H-benzimidazol-5-yl)-6-(cyclohexylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-amino-1H-benzimidazol-4-yl)-6-(piperidin-4-ylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;4-[3-(aminomethyl)-4-methyl-2-(4H-triazol-5-yl)phenyl]cyclohexan-1-amine;3-(3-azaspiro[5.5]undecan-3-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;1-(azetidin-3-ylmethyl)-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;3-[4-(azetidin-3-yl)phenyl]-6-(piperidin-4-ylmethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-(2-amino-3H-benzimidazol-5-yl)-6-(cyclohexylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-amino-1H-benzimidazol-4-yl)-6-(piperidin-4-ylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;4-[3-(aminomethyl)-4-methyl-2-(4H-triazol-5-yl)phenyl]cyclohexan-1-amine;3-(3-azaspiro[5.5]undecan-3-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;1-(azetidin-3-ylmethyl)-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;3-[4-(azetidin-3-yl)phenyl]-6-(piperidin-4-ylmethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CCN(CC4CNC4)CC3)cc2)c1-c1nn[nH]n1.Cc1ccc(C2CCC(N)CC2)c(C2=NN=NC2)c1CN.Cc1ccc(N2CCC3(CCCCC3)CC2)c(-c2nn[nH]n2)c1S(N)(=O)=O.NS(=O)(=O)c1c(CC2CCNCC2)ccc(-c2ccc(C3CNC3)cc2)c1-c1nn[nH]n1.Nc1nc2c(-c3ccc(CC4CCNCC4)c(S(N)(=O)=O)c3C3=NCN=N3)cccc2[nH]1.Nc1nc2ccc(-c3ccc(CC4CCCCC4)c(S(N)(=O)=O)c3C3=NCN=N3)cc2[nH]1.
What is the InChIKey of 3-(2-amino-3H-benzimidazol-5-yl)-6-(cyclohexylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-amino-1H-benzimidazol-4-yl)-6-(piperidin-4-ylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;4-[3-(aminomethyl)-4-methyl-2-(4H-triazol-5-yl)phenyl]cyclohexan-1-amine;3-(3-azaspiro[5.5]undecan-3-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;1-(azetidin-3-ylmethyl)-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;3-[4-(azetidin-3-yl)phenyl]-6-(piperidin-4-ylmethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is IGFPCVQXWXPXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N6O2S.C22H27N7O2S.C22H25N7O2S.C21H24N8O2S.C18H26N6O2S.C16H23N5/c1-36(34,35)22-20(24(25,26)27)7-6-19(21(22)23-29-31-32-30-23)18-4-2-16(3-5-18)17-8-10-33(11-9-17)14-15-12-28-13-15;23-32(30,31)21-17(11-14-7-9-24-10-8-14)5-6-19(20(21)22-26-28-29-27-22)16-3-1-15(2-4-16)18-12-25-13-18;23-22-27-17-9-7-14(11-18(17)28-22)16-8-6-15(10-13-4-2-1-3-5-13)20(32(24,30)31)19(16)21-25-12-26-29-21;22-21-27-16-3-1-2-15(18(16)28-21)14-5-4-13(10-12-6-8-24-9-7-12)19(32(23,30)31)17(14)20-25-11-26-29-20;1-13-5-6-14(15(16(13)27(19,25)26)17-20-22-23-21-17)24-11-9-18(10-12-24)7-3-2-4-8-18;1-10-2-7-13(11-3-5-12(18)6-4-11)16(14(10)8-17)15-9-19-21-20-15/h2-7,15,17,28H,8-14H2,1H3,(H,29,30,31,32);1-6,14,18,24-25H,7-13H2,(H2,23,30,31)(H,26,27,28,29);6-9,11,13H,1-5,10,12H2,(H3,23,27,28)(H2,24,30,31);1-5,12,24H,6-11H2,(H3,22,27,28)(H2,23,30,31);5-6H,2-4,7-12H2,1H3,(H2,19,25,26)(H,20,21,22,23);2,7,11-12H,3-6,8-9,17-18H2,1H3.
What are the key properties of 3-(2-amino-3H-benzimidazol-5-yl)-6-(cyclohexylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-amino-1H-benzimidazol-4-yl)-6-(piperidin-4-ylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;4-[3-(aminomethyl)-4-methyl-2-(4H-triazol-5-yl)phenyl]cyclohexan-1-amine;3-(3-azaspiro[5.5]undecan-3-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;1-(azetidin-3-ylmethyl)-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;3-[4-(azetidin-3-yl)phenyl]-6-(piperidin-4-ylmethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
3-(2-amino-3H-benzimidazol-5-yl)-6-(cyclohexylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-amino-1H-benzimidazol-4-yl)-6-(piperidin-4-ylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;4-[3-(aminomethyl)-4-methyl-2-(4H-triazol-5-yl)phenyl]cyclohexan-1-amine;3-(3-azaspiro[5.5]undecan-3-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;1-(azetidin-3-ylmethyl)-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;3-[4-(azetidin-3-yl)phenyl]-6-(piperidin-4-ylmethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 2554.16 g/mol, XLogP of 15.67, 28 rotatable bonds, 17 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-3H-benzimidazol-5-yl)-6-(cyclohexylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-amino-1H-benzimidazol-4-yl)-6-(piperidin-4-ylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;4-[3-(aminomethyl)-4-methyl-2-(4H-triazol-5-yl)phenyl]cyclohexan-1-amine;3-(3-azaspiro[5.5]undecan-3-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;1-(azetidin-3-ylmethyl)-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;3-[4-(azetidin-3-yl)phenyl]-6-(piperidin-4-ylmethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 158690061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).