3-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclobutan-1-amine;3-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclohexan-1-amine;4-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclohexan-1-amine;2-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclopentan-1-amine;3-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclopentan-1-amine

C116H127F15N30O10S5 — CID 157214176

IUPAC3-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclobutan-1-amine;3-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclohexan-1-amine;4-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclohexan-1-amine;2-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclopentan-1-amine;3-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclopentan-1-amine
SMILESCS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CN(C4CC(N)C4)C3)cc2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CN(C4CCC(N)C4)C3)cc2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CN(C4CCC(N)CC4)C3)cc2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CN(C4CCCC(N)C4)C3)cc2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CN(C4CCCC4N)C3)cc2)c1-c1nn[nH]n1
InChIInChI=1S/2C24H27F3N6O2S.2C23H25F3N6O2S.C22H23F3N6O2S/c1-36(34,35)22-20(24(25,26)27)11-10-19(21(22)23-29-31-32-30-23)15-4-2-14(3-5-15)16-12-33(13-16)18-8-6-17(28)7-9-18;1-36(34,35)22-20(24(25,26)27)10-9-19(21(22)23-29-31-32-30-23)15-7-5-14(6-8-15)16-12-33(13-16)18-4-2-3-17(28)11-18;1-35(33,34)21-19(23(24,25)26)9-8-18(20(21)22-28-30-31-29-22)14-4-2-13(3-5-14)15-11-32(12-15)17-7-6-16(27)10-17;1-35(33,34)21-17(23(24,25)26)10-9-16(20(21)22-28-30-31-29-22)14-7-5-13(6-8-14)15-11-32(12-15)19-4-2-3-18(19)27;1-34(32,33)20-18(22(23,24)25)7-6-17(19(20)21-27-29-30-28-21)13-4-2-12(3-5-13)14-10-31(11-14)16-8-15(26)9-16/h2-5,10-11,16-18H,6-9,12-13,28H2,1H3,(H,29,30,31,32);5-10,16-18H,2-4,11-13,28H2,1H3,(H,29,30,31,32);2-5,8-9,15-17H,6-7,10-12,27H2,1H3,(H,28,29,30,31);5-10,15,18-19H,2-4,11-12,27H2,1H3,(H,28,29,30,31);2-7,14-16H,8-11,26H2,1H3,(H,27,28,29,30)
InChIKeyASFLEOUGMPZBHB-UHFFFAOYSA-N
MW2546.80 g/mol
LogP16.57
Rot. Bonds25

About 3-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclobutan-1-amine;3-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclohexan-1-amine;4-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclohexan-1-amine;2-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclopentan-1-amine;3-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclopentan-1-amine

3-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclobutan-1-amine;3-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclohexan-1-amine;4-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclohexan-1-amine;2-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclopentan-1-amine;3-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclopentan-1-amine (PubChem CID 157214176) has the molecular formula C116H127F15N30O10S5 and a molecular weight of 2546.80 g/mol. Its IUPAC name is 3-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclobutan-1-amine;3-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclohexan-1-amine;4-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclohexan-1-amine;2-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclopentan-1-amine;3-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclobutan-1-amine;3-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclohexan-1-amine;4-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclohexan-1-amine;2-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclopentan-1-amine;3-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclopentan-1-amine
PubChem CID157214176
Molecular FormulaC116H127F15N30O10S5
Molecular Weight2546.80 g/mol
Exact Mass2544.87
IUPAC Name3-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclobutan-1-amine;3-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclohexan-1-amine;4-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclohexan-1-amine;2-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclopentan-1-amine;3-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclopentan-1-amine
SMILESCS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CN(C4CC(N)C4)C3)cc2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CN(C4CCC(N)C4)C3)cc2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CN(C4CCC(N)CC4)C3)cc2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CN(C4CCCC(N)C4)C3)cc2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CN(C4CCCC4N)C3)cc2)c1-c1nn[nH]n1
InChIInChI=1S/2C24H27F3N6O2S.2C23H25F3N6O2S.C22H23F3N6O2S/c1-36(34,35)22-20(24(25,26)27)11-10-19(21(22)23-29-31-32-30-23)15-4-2-14(3-5-15)16-12-33(13-16)18-8-6-17(28)7-9-18;1-36(34,35)22-20(24(25,26)27)10-9-19(21(22)23-29-31-32-30-23)15-7-5-14(6-8-15)16-12-33(13-16)18-4-2-3-17(28)11-18;1-35(33,34)21-19(23(24,25)26)9-8-18(20(21)22-28-30-31-29-22)14-4-2-13(3-5-14)15-11-32(12-15)17-7-6-16(27)10-17;1-35(33,34)21-17(23(24,25)26)10-9-16(20(21)22-28-30-31-29-22)14-7-5-13(6-8-14)15-11-32(12-15)19-4-2-3-18(19)27;1-34(32,33)20-18(22(23,24)25)7-6-17(19(20)21-27-29-30-28-21)13-4-2-12(3-5-13)14-10-31(11-14)16-8-15(26)9-16/h2-5,10-11,16-18H,6-9,12-13,28H2,1H3,(H,29,30,31,32);5-10,16-18H,2-4,11-13,28H2,1H3,(H,29,30,31,32);2-5,8-9,15-17H,6-7,10-12,27H2,1H3,(H,28,29,30,31);5-10,15,18-19H,2-4,11-12,27H2,1H3,(H,28,29,30,31);2-7,14-16H,8-11,26H2,1H3,(H,27,28,29,30)
InChIKeyASFLEOUGMPZBHB-UHFFFAOYSA-N
XLogP16.57
TPSA589.30 Ų
H-Bond Donors10
H-Bond Acceptors35
Rotatable Bonds25
Heavy Atoms176
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002546.80
LogP ≤ 516.57
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1035

Analyze 3-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclobutan-1-amine;3-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclohexan-1-amine;4-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclohexan-1-amine;2-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclopentan-1-amine;3-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclopentan-1-amine with MolForge

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Related Compounds

3-[4-[1-(3-aminocyclohexyl)piperidin-4-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[1-(4-aminocyclohexyl)piperidin-4-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[1-(7-azaspiro[3.5]nonan-2-yl)piperidin-4-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[1-(azetidin-3-yl)piperidin-4-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[1-[3-(methylamino)cyclobutyl]piperidin-4-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[1-(pyrrolidin-3-ylmethyl)piperidin-4-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 157878549
(3aS,6aR)-4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]azepane;3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclobutan-1-amine;4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclohexan-1-amine;2-[4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclohexyl]ethanamine;3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclopentan-1-amine
CID 157884161
5-[2-methylsulfonyl-6-[4-(pyrrolidin-3-ylmethyl)cyclohexyl]-3-(trifluoromethyl)phenyl]-2H-tetrazole;4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclohexan-1-amine;[4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclohexyl]methanamine;3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]piperidine;4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]piperidine;3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]propan-1-amine
CID 158013520
(3aS,6aR)-4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;5-[2-methylsulfonyl-6-[4-(pyrrolidin-3-ylmethyl)cyclohexyl]-3-(trifluoromethyl)phenyl]-2H-tetrazole;4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]azepane;3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclobutan-1-amine;2-[4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclohexyl]ethanamine;3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]piperidine
CID 158088117
4-methyl-5-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]pentan-1-amine;7-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;9-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-3-azaspiro[5.5]undecane;3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclohexan-1-amine;4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclohexan-1-amine;3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclopentan-1-amine
CID 158538335
3-[4-[1-(3-aminocyclobutyl)piperidin-4-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[1-(2-aminocyclopentyl)piperidin-4-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[1-[4-(2-aminoethyl)cyclohexyl]piperidin-4-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[1-(2-piperidin-4-ylethyl)piperidin-4-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(1-pyrrolidin-3-ylpiperidin-4-yl)phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 158642147
5-[6-[4-[1-(azetidin-3-ylmethyl)azetidin-3-yl]phenyl]-2-methylsulfonyl-3-(trifluoromethyl)phenyl]-2H-tetrazole;N-methyl-3-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclobutan-1-amine;5-[2-methylsulfonyl-6-[4-(1-pyrrolidin-3-ylazetidin-3-yl)phenyl]-3-(trifluoromethyl)phenyl]-2H-tetrazole;2-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]-7-azaspiro[3.5]nonane;3-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclohexan-1-amine
CID 158813933
5-[6-[4-[1-(cyclohexylmethyl)azetidin-3-yl]phenyl]-2-methylsulfonyl-3-(trifluoromethyl)phenyl]-2H-tetrazole;2-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]-7-azaspiro[3.5]nonane;4-[2-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]ethyl]piperidine;1-[[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]methyl]cyclopropan-1-amine;4-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]piperidine
CID 159284788
3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclobutan-1-amine;4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclohexan-1-amine;[4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclohexyl]methanamine;3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclopentan-1-amine;4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]piperidine;3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]propan-1-amine
CID 159379278
3-[4-[1-(3-aminocyclohexyl)azetidin-3-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[1-(2-aminocyclopentyl)azetidin-3-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[1-(2-aminoethyl)azetidin-3-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[1-[4-(2-aminoethyl)cyclohexyl]azetidin-3-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[1-[4-(aminomethyl)cyclohexyl]azetidin-3-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[1-[3-(methylamino)cyclobutyl]azetidin-3-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 159572378
1-butyl-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(piperidin-2-ylmethyl)piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(piperidin-3-ylmethyl)piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidine;trimethyl-[2-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]ethyl]azanium
CID 159651731
1-(azetidin-3-yl)-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;4-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclohexan-1-amine;2-[4-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclohexyl]ethanamine;2-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclopentan-1-amine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(2-piperidin-4-ylethyl)piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(pyrrolidin-3-ylmethyl)piperidine
CID 160647883

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclobutan-1-amine;3-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclohexan-1-amine;4-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclohexan-1-amine;2-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclopentan-1-amine;3-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclopentan-1-amine?
The IUPAC name of 3-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclobutan-1-amine;3-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclohexan-1-amine;4-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclohexan-1-amine;2-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclopentan-1-amine;3-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclopentan-1-amine (CID 157214176) is 3-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclobutan-1-amine;3-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclohexan-1-amine;4-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclohexan-1-amine;2-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclopentan-1-amine;3-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclopentan-1-amine.
What is the SMILES notation for 3-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclobutan-1-amine;3-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclohexan-1-amine;4-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclohexan-1-amine;2-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclopentan-1-amine;3-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclopentan-1-amine?
The canonical SMILES for 3-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclobutan-1-amine;3-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclohexan-1-amine;4-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclohexan-1-amine;2-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclopentan-1-amine;3-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclopentan-1-amine is CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CN(C4CC(N)C4)C3)cc2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CN(C4CCC(N)C4)C3)cc2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CN(C4CCC(N)CC4)C3)cc2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CN(C4CCCC(N)C4)C3)cc2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CN(C4CCCC4N)C3)cc2)c1-c1nn[nH]n1.
What is the InChIKey of 3-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclobutan-1-amine;3-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclohexan-1-amine;4-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclohexan-1-amine;2-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclopentan-1-amine;3-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclopentan-1-amine?
The InChIKey is ASFLEOUGMPZBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H27F3N6O2S.2C23H25F3N6O2S.C22H23F3N6O2S/c1-36(34,35)22-20(24(25,26)27)11-10-19(21(22)23-29-31-32-30-23)15-4-2-14(3-5-15)16-12-33(13-16)18-8-6-17(28)7-9-18;1-36(34,35)22-20(24(25,26)27)10-9-19(21(22)23-29-31-32-30-23)15-7-5-14(6-8-15)16-12-33(13-16)18-4-2-3-17(28)11-18;1-35(33,34)21-19(23(24,25)26)9-8-18(20(21)22-28-30-31-29-22)14-4-2-13(3-5-14)15-11-32(12-15)17-7-6-16(27)10-17;1-35(33,34)21-17(23(24,25)26)10-9-16(20(21)22-28-30-31-29-22)14-7-5-13(6-8-14)15-11-32(12-15)19-4-2-3-18(19)27;1-34(32,33)20-18(22(23,24)25)7-6-17(19(20)21-27-29-30-28-21)13-4-2-12(3-5-13)14-10-31(11-14)16-8-15(26)9-16/h2-5,10-11,16-18H,6-9,12-13,28H2,1H3,(H,29,30,31,32);5-10,16-18H,2-4,11-13,28H2,1H3,(H,29,30,31,32);2-5,8-9,15-17H,6-7,10-12,27H2,1H3,(H,28,29,30,31);5-10,15,18-19H,2-4,11-12,27H2,1H3,(H,28,29,30,31);2-7,14-16H,8-11,26H2,1H3,(H,27,28,29,30).
What are the key properties of 3-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclobutan-1-amine;3-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclohexan-1-amine;4-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclohexan-1-amine;2-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclopentan-1-amine;3-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclopentan-1-amine?
3-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclobutan-1-amine;3-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclohexan-1-amine;4-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclohexan-1-amine;2-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclopentan-1-amine;3-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclopentan-1-amine has a molecular weight of 2546.80 g/mol, XLogP of 16.57, 25 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclobutan-1-amine;3-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclohexan-1-amine;4-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclohexan-1-amine;2-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclopentan-1-amine;3-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclopentan-1-amine is sourced from PubChem (CID 157214176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).