3-(2-amino-1-ethylbenzimidazol-5-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(1-aminoisoquinolin-6-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(4-aminoquinazolin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(2,4-diaminoquinazolin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-imidazo[1,2-a]pyridin-3-yl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(4-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide

C95H71F18N45O12S6 — CID 158224630

IUPAC3-(2-amino-1-ethylbenzimidazol-5-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(1-aminoisoquinolin-6-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(4-aminoquinazolin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(2,4-diaminoquinazolin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-imidazo[1,2-a]pyridin-3-yl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(4-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
SMILESCCn1c(N)nc2cc(-c3ccc(C(F)(F)F)c(S(N)(=O)=O)c3-c3nn[nH]n3)ccc21.Cc1ccncc1-c1ccc(C(F)(F)F)c(S(N)(=O)=O)c1-c1nn[nH]n1.NS(=O)(=O)c1c(C(F)(F)F)ccc(-c2cnc3ccccn23)c1-c1nn[nH]n1.Nc1nc(N)c2ccc(-c3ccc(C(F)(F)F)c(S(N)(=O)=O)c3-c3nn[nH]n3)cc2n1.Nc1nccc2cc(-c3ccc(C(F)(F)F)c(S(N)(=O)=O)c3-c3nn[nH]n3)ccc12.Nc1ncnc2cc(-c3ccc(C(F)(F)F)c(S(N)(=O)=O)c3-c3nn[nH]n3)ccc12
InChIInChI=1S/C17H15F3N8O2S.C17H12F3N7O2S.C16H12F3N9O2S.C16H11F3N8O2S.C15H10F3N7O2S.C14H11F3N6O2S/c1-2-28-12-6-3-8(7-11(12)23-16(28)21)9-4-5-10(17(18,19)20)14(31(22,29)30)13(9)15-24-26-27-25-15;18-17(19,20)12-4-3-10(8-1-2-11-9(7-8)5-6-23-15(11)21)13(14(12)30(22,28)29)16-24-26-27-25-16;17-16(18,19)9-4-3-7(11(12(9)31(22,29)30)14-25-27-28-26-14)6-1-2-8-10(5-6)23-15(21)24-13(8)20;17-16(18,19)10-4-3-8(7-1-2-9-11(5-7)22-6-23-14(9)20)12(13(10)30(21,28)29)15-24-26-27-25-15;16-15(17,18)9-5-4-8(10-7-20-11-3-1-2-6-25(10)11)12(13(9)28(19,26)27)14-21-23-24-22-14;1-7-4-5-19-6-9(7)8-2-3-10(14(15,16)17)12(26(18,24)25)11(8)13-20-22-23-21-13/h3-7H,2H2,1H3,(H2,21,23)(H2,22,29,30)(H,24,25,26,27);1-7H,(H2,21,23)(H2,22,28,29)(H,24,25,26,27);1-5H,(H2,22,29,30)(H4,20,21,23,24)(H,25,26,27,28);1-6H,(H2,20,22,23)(H2,21,28,29)(H,24,25,26,27);1-7H,(H2,19,26,27)(H,21,22,23,24);2-6H,1H3,(H2,18,24,25)(H,20,21,22,23)
InChIKeyGDQNJMOLNYAYES-UHFFFAOYSA-N
MW2569.28 g/mol
LogP11.27
Rot. Bonds19

About 3-(2-amino-1-ethylbenzimidazol-5-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(1-aminoisoquinolin-6-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(4-aminoquinazolin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(2,4-diaminoquinazolin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-imidazo[1,2-a]pyridin-3-yl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(4-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide

3-(2-amino-1-ethylbenzimidazol-5-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(1-aminoisoquinolin-6-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(4-aminoquinazolin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(2,4-diaminoquinazolin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-imidazo[1,2-a]pyridin-3-yl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(4-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide (PubChem CID 158224630) has the molecular formula C95H71F18N45O12S6 and a molecular weight of 2569.28 g/mol. Its IUPAC name is 3-(2-amino-1-ethylbenzimidazol-5-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(1-aminoisoquinolin-6-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(4-aminoquinazolin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(2,4-diaminoquinazolin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-imidazo[1,2-a]pyridin-3-yl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(4-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(2-amino-1-ethylbenzimidazol-5-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(1-aminoisoquinolin-6-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(4-aminoquinazolin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(2,4-diaminoquinazolin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-imidazo[1,2-a]pyridin-3-yl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(4-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
PubChem CID158224630
Molecular FormulaC95H71F18N45O12S6
Molecular Weight2569.28 g/mol
Exact Mass2567.44
IUPAC Name3-(2-amino-1-ethylbenzimidazol-5-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(1-aminoisoquinolin-6-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(4-aminoquinazolin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(2,4-diaminoquinazolin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-imidazo[1,2-a]pyridin-3-yl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(4-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
SMILESCCn1c(N)nc2cc(-c3ccc(C(F)(F)F)c(S(N)(=O)=O)c3-c3nn[nH]n3)ccc21.Cc1ccncc1-c1ccc(C(F)(F)F)c(S(N)(=O)=O)c1-c1nn[nH]n1.NS(=O)(=O)c1c(C(F)(F)F)ccc(-c2cnc3ccccn23)c1-c1nn[nH]n1.Nc1nc(N)c2ccc(-c3ccc(C(F)(F)F)c(S(N)(=O)=O)c3-c3nn[nH]n3)cc2n1.Nc1nccc2cc(-c3ccc(C(F)(F)F)c(S(N)(=O)=O)c3-c3nn[nH]n3)ccc12.Nc1ncnc2cc(-c3ccc(C(F)(F)F)c(S(N)(=O)=O)c3-c3nn[nH]n3)ccc12
InChIInChI=1S/C17H15F3N8O2S.C17H12F3N7O2S.C16H12F3N9O2S.C16H11F3N8O2S.C15H10F3N7O2S.C14H11F3N6O2S/c1-2-28-12-6-3-8(7-11(12)23-16(28)21)9-4-5-10(17(18,19)20)14(31(22,29)30)13(9)15-24-26-27-25-15;18-17(19,20)12-4-3-10(8-1-2-11-9(7-8)5-6-23-15(11)21)13(14(12)30(22,28)29)16-24-26-27-25-16;17-16(18,19)9-4-3-7(11(12(9)31(22,29)30)14-25-27-28-26-14)6-1-2-8-10(5-6)23-15(21)24-13(8)20;17-16(18,19)10-4-3-8(7-1-2-9-11(5-7)22-6-23-14(9)20)12(13(10)30(21,28)29)15-24-26-27-25-15;16-15(17,18)9-5-4-8(10-7-20-11-3-1-2-6-25(10)11)12(13(9)28(19,26)27)14-21-23-24-22-14;1-7-4-5-19-6-9(7)8-2-3-10(14(15,16)17)12(26(18,24)25)11(8)13-20-22-23-21-13/h3-7H,2H2,1H3,(H2,21,23)(H2,22,29,30)(H,24,25,26,27);1-7H,(H2,21,23)(H2,22,28,29)(H,24,25,26,27);1-5H,(H2,22,29,30)(H4,20,21,23,24)(H,25,26,27,28);1-6H,(H2,20,22,23)(H2,21,28,29)(H,24,25,26,27);1-7H,(H2,19,26,27)(H,21,22,23,24);2-6H,1H3,(H2,18,24,25)(H,20,21,22,23)
InChIKeyGDQNJMOLNYAYES-UHFFFAOYSA-N
XLogP11.27
TPSA930.28 Ų
H-Bond Donors17
H-Bond Acceptors45
Rotatable Bonds19
Heavy Atoms176
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002569.28
LogP ≤ 511.27
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1045

Analyze 3-(2-amino-1-ethylbenzimidazol-5-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(1-aminoisoquinolin-6-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(4-aminoquinazolin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(2,4-diaminoquinazolin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-imidazo[1,2-a]pyridin-3-yl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(4-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide with MolForge

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Related Compounds

N-[[3-fluoro-5-[2-[5-[5-[[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]piperidin-1-yl]methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]phenyl]methyl]methanesulfonamide
CID 137117819
6-(3-cyano-6-ethyl-5-fluoro-1-pyridin-3-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-ethyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-(cyclobutylmethyl)pyridine-3-sulfonamide;6-[3-cyano-6-fluoro-1-(5-fluoropyrimidin-2-yl)-5-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-pyrazin-2-yl-6-(trifluoromethyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-pyridin-2-yl-6-(trifluoromethyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-pyrimidin-2-yl-6-(trifluoromethyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
CID 157167151
3-(6-amino-2-methyl-3-pyridinyl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(6-amino-4-methyl-3-pyridinyl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-aminoquinazolin-5-yl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-aminoquinazolin-8-yl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-aminoquinolin-8-yl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine
CID 157875643
benzenesulfonic acid;chloroplatinum(1+);9-[3-(2,6-dimethyl-4-phenylphenyl)-5-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]pyrido[2,3-b]indole;2-(3-methyl-2H-benzimidazol-2-id-1-yl)-7-phenyl-9-pyridin-2-yl-1H-carbazol-1-ide;11-[3-[4-(4-phenylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]pyrido[2,3-b][1]benzazepine;bis(platinum(2+));trifluoromethanesulfonic acid
CID 158056165
2-amino-7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carbonitrile;6-fluoro-4-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine;6-methyl-5-[[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]methyl]pyridin-2-amine;4-methyl-7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine;7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-amine;7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-amine;4-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine
CID 158216281
1-(3,3-difluorobutan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(3,5-dimethylpyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;8-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)imidazo[2,1-a]isoquinoline;8-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)tetrazolo[5,1-a]isoquinoline
CID 158336831
3-[4-[[4-(2-aminoethyl)cyclohexyl]methyl]cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(2-aminoethyl)phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[[4-(aminomethyl)cyclohexyl]methyl]cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(1H-indol-5-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(2-piperazin-1-ylpyrimidin-5-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-pyrazolo[1,5-a]pyridin-3-yl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;2-(2H-tetrazol-5-yl)-3-([1,2]thiazolo[3,4-b]pyridin-3-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 158389410
CID 158474531
CID 158474531
4-fluoro-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-indazol-3-amine;3-fluoro-5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyridin-2-amine;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-indazol-3-amine;2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyridin-4-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
CID 158897486
4-methyl-3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyridine;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-2,3-dihydroisoindol-1-one;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-2-piperidin-4-ylpyridine;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]quinazolin-4-amine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]quinolin-2-amine
CID 158998894
1-[6-(2,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;N,N-dimethyl-4-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]aniline;1-[6-(3-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;6-(1-methylpyrazol-4-yl)-1-[6-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonylpyrazolo[4,5-b]pyridine;6-(1-methylpyrazol-4-yl)-1-[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]sulfonylpyrazolo[4,5-b]pyridine;6-(1-methylpyrazol-4-yl)-1-[6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]sulfonylpyrazolo[4,5-b]pyridine;hydrochloride
CID 159183249
benzenesulfonic acid;chloropalladium(1+);9-[3-(2,6-dimethyl-4-phenylphenyl)-5-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]pyrido[2,3-b]indole;2-(3-methyl-2H-benzimidazol-2-id-1-yl)-7-phenyl-9-pyridin-2-yl-1H-carbazol-1-ide;bis(palladium(2+));11-[3-[4-(4-phenylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]pyrido[2,3-b][1]benzazepine;trifluoromethanesulfonic acid
CID 159191989

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1-ethylbenzimidazol-5-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(1-aminoisoquinolin-6-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(4-aminoquinazolin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(2,4-diaminoquinazolin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-imidazo[1,2-a]pyridin-3-yl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(4-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 3-(2-amino-1-ethylbenzimidazol-5-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(1-aminoisoquinolin-6-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(4-aminoquinazolin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(2,4-diaminoquinazolin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-imidazo[1,2-a]pyridin-3-yl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(4-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide (CID 158224630) is 3-(2-amino-1-ethylbenzimidazol-5-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(1-aminoisoquinolin-6-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(4-aminoquinazolin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(2,4-diaminoquinazolin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-imidazo[1,2-a]pyridin-3-yl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(4-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 3-(2-amino-1-ethylbenzimidazol-5-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(1-aminoisoquinolin-6-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(4-aminoquinazolin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(2,4-diaminoquinazolin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-imidazo[1,2-a]pyridin-3-yl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(4-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 3-(2-amino-1-ethylbenzimidazol-5-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(1-aminoisoquinolin-6-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(4-aminoquinazolin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(2,4-diaminoquinazolin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-imidazo[1,2-a]pyridin-3-yl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(4-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide is CCn1c(N)nc2cc(-c3ccc(C(F)(F)F)c(S(N)(=O)=O)c3-c3nn[nH]n3)ccc21.Cc1ccncc1-c1ccc(C(F)(F)F)c(S(N)(=O)=O)c1-c1nn[nH]n1.NS(=O)(=O)c1c(C(F)(F)F)ccc(-c2cnc3ccccn23)c1-c1nn[nH]n1.Nc1nc(N)c2ccc(-c3ccc(C(F)(F)F)c(S(N)(=O)=O)c3-c3nn[nH]n3)cc2n1.Nc1nccc2cc(-c3ccc(C(F)(F)F)c(S(N)(=O)=O)c3-c3nn[nH]n3)ccc12.Nc1ncnc2cc(-c3ccc(C(F)(F)F)c(S(N)(=O)=O)c3-c3nn[nH]n3)ccc12.
What is the InChIKey of 3-(2-amino-1-ethylbenzimidazol-5-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(1-aminoisoquinolin-6-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(4-aminoquinazolin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(2,4-diaminoquinazolin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-imidazo[1,2-a]pyridin-3-yl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(4-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The InChIKey is GDQNJMOLNYAYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N8O2S.C17H12F3N7O2S.C16H12F3N9O2S.C16H11F3N8O2S.C15H10F3N7O2S.C14H11F3N6O2S/c1-2-28-12-6-3-8(7-11(12)23-16(28)21)9-4-5-10(17(18,19)20)14(31(22,29)30)13(9)15-24-26-27-25-15;18-17(19,20)12-4-3-10(8-1-2-11-9(7-8)5-6-23-15(11)21)13(14(12)30(22,28)29)16-24-26-27-25-16;17-16(18,19)9-4-3-7(11(12(9)31(22,29)30)14-25-27-28-26-14)6-1-2-8-10(5-6)23-15(21)24-13(8)20;17-16(18,19)10-4-3-8(7-1-2-9-11(5-7)22-6-23-14(9)20)12(13(10)30(21,28)29)15-24-26-27-25-15;16-15(17,18)9-5-4-8(10-7-20-11-3-1-2-6-25(10)11)12(13(9)28(19,26)27)14-21-23-24-22-14;1-7-4-5-19-6-9(7)8-2-3-10(14(15,16)17)12(26(18,24)25)11(8)13-20-22-23-21-13/h3-7H,2H2,1H3,(H2,21,23)(H2,22,29,30)(H,24,25,26,27);1-7H,(H2,21,23)(H2,22,28,29)(H,24,25,26,27);1-5H,(H2,22,29,30)(H4,20,21,23,24)(H,25,26,27,28);1-6H,(H2,20,22,23)(H2,21,28,29)(H,24,25,26,27);1-7H,(H2,19,26,27)(H,21,22,23,24);2-6H,1H3,(H2,18,24,25)(H,20,21,22,23).
What are the key properties of 3-(2-amino-1-ethylbenzimidazol-5-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(1-aminoisoquinolin-6-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(4-aminoquinazolin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(2,4-diaminoquinazolin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-imidazo[1,2-a]pyridin-3-yl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(4-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
3-(2-amino-1-ethylbenzimidazol-5-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(1-aminoisoquinolin-6-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(4-aminoquinazolin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(2,4-diaminoquinazolin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-imidazo[1,2-a]pyridin-3-yl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(4-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide has a molecular weight of 2569.28 g/mol, XLogP of 11.27, 19 rotatable bonds, 17 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1-ethylbenzimidazol-5-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(1-aminoisoquinolin-6-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(4-aminoquinazolin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(2,4-diaminoquinazolin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-imidazo[1,2-a]pyridin-3-yl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(4-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 158224630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).