2-methyl-1-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole;4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]benzonitrile;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]furo[3,2-b]pyridine;3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]propan-1-amine;2-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]ethanamine;[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methanamine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-7H-pyrrolo[3,4-b]pyridine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1H-pyrrolo[3,2-b]pyridine

C129H115N45O17S8 — CID 158032619

IUPAC2-methyl-1-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole;4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]benzonitrile;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]furo[3,2-b]pyridine;3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]propan-1-amine;2-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]ethanamine;[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methanamine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-7H-pyrrolo[3,4-b]pyridine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1H-pyrrolo[3,2-b]pyridine
SMILESCS(=O)(=O)c1cccc(-c2ccc(C#N)cc2)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2ccc(CCCN)cc2)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2ccc(CCN)nc2)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2ccc(CN)nc2)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2cnc3c(c2)C=NC3)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2cnc3cc[nH]c3c2)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2cnc3ccoc3c2)c1-c1nn[nH]n1.Cc1nc2ccccc2n1Cc1ccc(-c2cccc(S(C)(=O)=O)c2-c2nn[nH]n2)cc1
InChIInChI=1S/C23H20N6O2S.C17H19N5O2S.2C15H12N6O2S.C15H16N6O2S.C15H11N5O3S.C15H11N5O2S.C14H14N6O2S/c1-15-24-19-7-3-4-8-20(19)29(15)14-16-10-12-17(13-11-16)18-6-5-9-21(32(2,30)31)22(18)23-25-27-28-26-23;1-25(23,24)15-6-2-5-14(16(15)17-19-21-22-20-17)13-9-7-12(8-10-13)4-3-11-18;1-24(22,23)13-4-2-3-11(14(13)15-18-20-21-19-15)9-5-10-6-16-8-12(10)17-7-9;1-24(22,23)13-4-2-3-10(14(13)15-18-20-21-19-15)9-7-12-11(17-8-9)5-6-16-12;1-24(22,23)13-4-2-3-12(14(13)15-18-20-21-19-15)10-5-6-11(7-8-16)17-9-10;1-24(21,22)13-4-2-3-10(14(13)15-17-19-20-18-15)9-7-12-11(16-8-9)5-6-23-12;1-23(21,22)13-4-2-3-12(14(13)15-17-19-20-18-15)11-7-5-10(9-16)6-8-11;1-23(21,22)12-4-2-3-11(13(12)14-17-19-20-18-14)9-5-6-10(7-15)16-8-9/h3-13H,14H2,1-2H3,(H,25,26,27,28);2,5-10H,3-4,11,18H2,1H3,(H,19,20,21,22);2-7H,8H2,1H3,(H,18,19,20,21);2-8,16H,1H3,(H,18,19,20,21);2-6,9H,7-8,16H2,1H3,(H,18,19,20,21);2-8H,1H3,(H,17,18,19,20);2-8H,1H3,(H,17,18,19,20);2-6,8H,7,15H2,1H3,(H,17,18,19,20)
InChIKeyFHIZWXOUFPIBOY-UHFFFAOYSA-N
MW2824.17 g/mol
LogP14.06
Rot. Bonds32

About 2-methyl-1-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole;4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]benzonitrile;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]furo[3,2-b]pyridine;3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]propan-1-amine;2-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]ethanamine;[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methanamine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-7H-pyrrolo[3,4-b]pyridine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1H-pyrrolo[3,2-b]pyridine

2-methyl-1-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole;4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]benzonitrile;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]furo[3,2-b]pyridine;3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]propan-1-amine;2-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]ethanamine;[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methanamine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-7H-pyrrolo[3,4-b]pyridine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1H-pyrrolo[3,2-b]pyridine (PubChem CID 158032619) has the molecular formula C129H115N45O17S8 and a molecular weight of 2824.17 g/mol. Its IUPAC name is 2-methyl-1-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole;4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]benzonitrile;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]furo[3,2-b]pyridine;3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]propan-1-amine;2-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]ethanamine;[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methanamine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-7H-pyrrolo[3,4-b]pyridine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name2-methyl-1-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole;4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]benzonitrile;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]furo[3,2-b]pyridine;3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]propan-1-amine;2-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]ethanamine;[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methanamine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-7H-pyrrolo[3,4-b]pyridine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1H-pyrrolo[3,2-b]pyridine
PubChem CID158032619
Molecular FormulaC129H115N45O17S8
Molecular Weight2824.17 g/mol
Exact Mass2821.73
IUPAC Name2-methyl-1-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole;4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]benzonitrile;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]furo[3,2-b]pyridine;3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]propan-1-amine;2-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]ethanamine;[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methanamine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-7H-pyrrolo[3,4-b]pyridine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1H-pyrrolo[3,2-b]pyridine
SMILESCS(=O)(=O)c1cccc(-c2ccc(C#N)cc2)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2ccc(CCCN)cc2)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2ccc(CCN)nc2)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2ccc(CN)nc2)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2cnc3c(c2)C=NC3)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2cnc3cc[nH]c3c2)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2cnc3ccoc3c2)c1-c1nn[nH]n1.Cc1nc2ccccc2n1Cc1ccc(-c2cccc(S(C)(=O)=O)c2-c2nn[nH]n2)cc1
InChIInChI=1S/C23H20N6O2S.C17H19N5O2S.2C15H12N6O2S.C15H16N6O2S.C15H11N5O3S.C15H11N5O2S.C14H14N6O2S/c1-15-24-19-7-3-4-8-20(19)29(15)14-16-10-12-17(13-11-16)18-6-5-9-21(32(2,30)31)22(18)23-25-27-28-26-23;1-25(23,24)15-6-2-5-14(16(15)17-19-21-22-20-17)13-9-7-12(8-10-13)4-3-11-18;1-24(22,23)13-4-2-3-11(14(13)15-18-20-21-19-15)9-5-10-6-16-8-12(10)17-7-9;1-24(22,23)13-4-2-3-10(14(13)15-18-20-21-19-15)9-7-12-11(17-8-9)5-6-16-12;1-24(22,23)13-4-2-3-12(14(13)15-18-20-21-19-15)10-5-6-11(7-8-16)17-9-10;1-24(21,22)13-4-2-3-10(14(13)15-17-19-20-18-15)9-7-12-11(16-8-9)5-6-23-12;1-23(21,22)13-4-2-3-12(14(13)15-17-19-20-18-15)11-7-5-10(9-16)6-8-11;1-23(21,22)12-4-2-3-11(13(12)14-17-19-20-18-14)9-5-6-10(7-15)16-8-9/h3-13H,14H2,1-2H3,(H,25,26,27,28);2,5-10H,3-4,11,18H2,1H3,(H,19,20,21,22);2-7H,8H2,1H3,(H,18,19,20,21);2-8,16H,1H3,(H,18,19,20,21);2-6,9H,7-8,16H2,1H3,(H,18,19,20,21);2-8H,1H3,(H,17,18,19,20);2-8H,1H3,(H,17,18,19,20);2-6,8H,7,15H2,1H3,(H,17,18,19,20)
InChIKeyFHIZWXOUFPIBOY-UHFFFAOYSA-N
XLogP14.06
TPSA934.21 Ų
H-Bond Donors12
H-Bond Acceptors53
Rotatable Bonds32
Heavy Atoms199
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002824.17
LogP ≤ 514.06
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1053

Analyze 2-methyl-1-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole;4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]benzonitrile;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]furo[3,2-b]pyridine;3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]propan-1-amine;2-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]ethanamine;[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methanamine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-7H-pyrrolo[3,4-b]pyridine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1H-pyrrolo[3,2-b]pyridine with MolForge

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Related Compounds

3-(2,6-diamino-4-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(2,3-dihydro-1H-isoindol-5-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-furo[3,2-b]pyridin-6-yl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-imidazo[1,2-a]pyrimidin-3-yl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(oxan-2-yl)phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(4-pyrrolidin-2-ylphenyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 158204401
5-[2-methylsulfonyl-6-[4-(oxan-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-2H-tetrazole;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]furo[3,2-b]pyridine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine;4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyridine-2,6-diamine;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-[1,2]thiazolo[3,4-b]pyridine
CID 160957899
2-cyano-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;2-phenoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]oxolane-3-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-(2H-tetrazol-5-yl)acetamide
CID 157246131
3-fluoro-5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridin-2-amine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]furo[3,2-b]pyridine;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1H-indazole;3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]azetidin-3-ol;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-7H-pyrrolo[3,4-b]pyridine;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1H-pyrrolo[3,2-b]pyridine
CID 157836185
2-fluoro-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;5-[2-(furan-2-yl)-6-methylsulfonylphenyl]-2H-tetrazole;2-methoxy-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrazine;2-methoxy-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;5-[2-(1-methylimidazol-2-yl)-6-methylsulfonylphenyl]-2H-tetrazole;4-methyl-2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-thiazole;2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrimidine;2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-thiazole
CID 159982925
bis(1-benzofuran);bis(1-benzothiophene);ethane;furo[3,2-b]pyridine;furo[3,2-c]pyridine;tris(1H-indole);isoquinoline;bis(pyrazolo[1,5-a]pyridine);bis(pyrazolo[1,5-a]pyrimidine);bis(1H-pyrrolo[2,3-b]pyridine);bis(1H-pyrrolo[3,2-b]pyridine);bis(1H-pyrrolo[2,3-c]pyridine);bis(1H-pyrrolo[3,2-c]pyridine);quinoline;quinoxaline;thieno[3,2-c]pyridine
CID 160096562
CID 161135131
CID 161135131
4-[4-[3-(amino-methylidene-oxo-lambda6-sulfanyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine-1-carboximidamide;1,1-dimethyl-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidin-1-ium;2-fluoro-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;5-[2-(furan-2-yl)-6-methylsulfonylphenyl]-2H-tetrazole;2-methoxy-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrazine;2-methoxy-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;5-[2-(1-methylimidazol-2-yl)-6-methylsulfonylphenyl]-2H-tetrazole;4-methyl-2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-thiazole;2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrimidine;2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-thiazole
CID 161256694
N,4-dimethylbenzamide;1,2-dimethylimidazole;N,N-dimethyl-2-(4-methylphenyl)acetamide;4,5-dimethyl-1,3-oxazole;(3,4-dimethylphenyl)-methyl-methylidene-oxo-lambda6-sulfane;1,3-dimethylpyrazole;2,5-dimethylpyridine;(5,6-dimethyl-3-pyridinyl)-methyl-methylidene-oxo-lambda6-sulfane;1,5-dimethyltetrazole;1,5-dimethyl-1,2,4-triazole;2-ethoxy-5-methylpyridine;N-ethyl-4-methylbenzamide;2-ethyl-1-methylimidazole;methyl-methylidene-(4-methylphenyl)-oxo-lambda6-sulfane;methyl-methylidene-(6-methyl-3-pyridinyl)-oxo-lambda6-sulfane;5-methyl-2-methylsulfonylpyridine;5-methyl-1,3-oxazole;2-(4-methylphenyl)acetonitrile;1-(4-methylphenyl)butan-2-one;1-(4-methylphenyl)ethanone;1-(4-methylphenyl)propan-2-one;1-methylpyrazole;3-methylpyridine;1-methylpyrrole;toluene;1,4-xylene
CID 161551586
N-(furan-3-ylmethyl)-1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-amine;methane;3-(4-methylsulfonylphenyl)-N-phenylfuro[3,2-b]pyridin-5-amine;1-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridin-6-amine;1-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridin-6-amine;7-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-2-amine
CID 167705898

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole;4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]benzonitrile;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]furo[3,2-b]pyridine;3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]propan-1-amine;2-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]ethanamine;[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methanamine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-7H-pyrrolo[3,4-b]pyridine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 2-methyl-1-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole;4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]benzonitrile;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]furo[3,2-b]pyridine;3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]propan-1-amine;2-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]ethanamine;[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methanamine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-7H-pyrrolo[3,4-b]pyridine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1H-pyrrolo[3,2-b]pyridine (CID 158032619) is 2-methyl-1-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole;4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]benzonitrile;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]furo[3,2-b]pyridine;3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]propan-1-amine;2-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]ethanamine;[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methanamine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-7H-pyrrolo[3,4-b]pyridine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 2-methyl-1-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole;4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]benzonitrile;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]furo[3,2-b]pyridine;3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]propan-1-amine;2-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]ethanamine;[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methanamine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-7H-pyrrolo[3,4-b]pyridine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 2-methyl-1-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole;4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]benzonitrile;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]furo[3,2-b]pyridine;3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]propan-1-amine;2-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]ethanamine;[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methanamine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-7H-pyrrolo[3,4-b]pyridine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1H-pyrrolo[3,2-b]pyridine is CS(=O)(=O)c1cccc(-c2ccc(C#N)cc2)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2ccc(CCCN)cc2)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2ccc(CCN)nc2)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2ccc(CN)nc2)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2cnc3c(c2)C=NC3)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2cnc3cc[nH]c3c2)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2cnc3ccoc3c2)c1-c1nn[nH]n1.Cc1nc2ccccc2n1Cc1ccc(-c2cccc(S(C)(=O)=O)c2-c2nn[nH]n2)cc1.
What is the InChIKey of 2-methyl-1-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole;4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]benzonitrile;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]furo[3,2-b]pyridine;3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]propan-1-amine;2-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]ethanamine;[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methanamine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-7H-pyrrolo[3,4-b]pyridine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is FHIZWXOUFPIBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O2S.C17H19N5O2S.2C15H12N6O2S.C15H16N6O2S.C15H11N5O3S.C15H11N5O2S.C14H14N6O2S/c1-15-24-19-7-3-4-8-20(19)29(15)14-16-10-12-17(13-11-16)18-6-5-9-21(32(2,30)31)22(18)23-25-27-28-26-23;1-25(23,24)15-6-2-5-14(16(15)17-19-21-22-20-17)13-9-7-12(8-10-13)4-3-11-18;1-24(22,23)13-4-2-3-11(14(13)15-18-20-21-19-15)9-5-10-6-16-8-12(10)17-7-9;1-24(22,23)13-4-2-3-10(14(13)15-18-20-21-19-15)9-7-12-11(17-8-9)5-6-16-12;1-24(22,23)13-4-2-3-12(14(13)15-18-20-21-19-15)10-5-6-11(7-8-16)17-9-10;1-24(21,22)13-4-2-3-10(14(13)15-17-19-20-18-15)9-7-12-11(16-8-9)5-6-23-12;1-23(21,22)13-4-2-3-12(14(13)15-17-19-20-18-15)11-7-5-10(9-16)6-8-11;1-23(21,22)12-4-2-3-11(13(12)14-17-19-20-18-14)9-5-6-10(7-15)16-8-9/h3-13H,14H2,1-2H3,(H,25,26,27,28);2,5-10H,3-4,11,18H2,1H3,(H,19,20,21,22);2-7H,8H2,1H3,(H,18,19,20,21);2-8,16H,1H3,(H,18,19,20,21);2-6,9H,7-8,16H2,1H3,(H,18,19,20,21);2-8H,1H3,(H,17,18,19,20);2-8H,1H3,(H,17,18,19,20);2-6,8H,7,15H2,1H3,(H,17,18,19,20).
What are the key properties of 2-methyl-1-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole;4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]benzonitrile;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]furo[3,2-b]pyridine;3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]propan-1-amine;2-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]ethanamine;[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methanamine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-7H-pyrrolo[3,4-b]pyridine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1H-pyrrolo[3,2-b]pyridine?
2-methyl-1-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole;4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]benzonitrile;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]furo[3,2-b]pyridine;3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]propan-1-amine;2-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]ethanamine;[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methanamine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-7H-pyrrolo[3,4-b]pyridine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 2824.17 g/mol, XLogP of 14.06, 32 rotatable bonds, 12 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole;4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]benzonitrile;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]furo[3,2-b]pyridine;3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]propan-1-amine;2-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]ethanamine;[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methanamine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-7H-pyrrolo[3,4-b]pyridine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 158032619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).