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

C123H139F15N30O10S5 — CID 158813933

IUPAC5-[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
SMILESCNC1CC(N2CCC(c3ccc(-c4ccc(C(F)(F)F)c(S(C)(=O)=O)c4-c4nn[nH]n4)cc3)CC2)C1.CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CCN(C4CC5(CCNCC5)C4)CC3)cc2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CCN(C4CCCC(N)C4)CC3)cc2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CN(C4CCNC4)C3)cc2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CN(CC4CNC4)C3)cc2)c1-c1nn[nH]n1
InChIInChI=1S/C28H33F3N6O2S.C26H31F3N6O2S.C25H29F3N6O2S.2C22H23F3N6O2S/c1-40(38,39)25-23(28(29,30)31)7-6-22(24(25)26-33-35-36-34-26)20-4-2-18(3-5-20)19-8-14-37(15-9-19)21-16-27(17-21)10-12-32-13-11-27;1-38(36,37)24-22(26(27,28)29)10-9-21(23(24)25-31-33-34-32-25)18-7-5-16(6-8-18)17-11-13-35(14-12-17)20-4-2-3-19(30)15-20;1-29-18-13-19(14-18)34-11-9-16(10-12-34)15-3-5-17(6-4-15)20-7-8-21(25(26,27)28)23(37(2,35)36)22(20)24-30-32-33-31-24;1-34(32,33)20-18(22(23,24)25)7-6-17(19(20)21-27-29-30-28-21)15-4-2-14(3-5-15)16-11-31(12-16)10-13-8-26-9-13;1-34(32,33)20-18(22(23,24)25)7-6-17(19(20)21-27-29-30-28-21)14-4-2-13(3-5-14)15-11-31(12-15)16-8-9-26-10-16/h2-7,19,21,32H,8-17H2,1H3,(H,33,34,35,36);5-10,17,19-20H,2-4,11-15,30H2,1H3,(H,31,32,33,34);3-8,16,18-19,29H,9-14H2,1-2H3,(H,30,31,32,33);2-7,13,16,26H,8-12H2,1H3,(H,27,28,29,30);2-7,15-16,26H,8-12H2,1H3,(H,27,28,29,30)
InChIKeyIVALVJIHPHBNFR-UHFFFAOYSA-N
MW2642.97 g/mol
LogP18.25
Rot. Bonds27

About 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

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 (PubChem CID 158813933) has the molecular formula C123H139F15N30O10S5 and a molecular weight of 2642.97 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID158813933
Molecular FormulaC123H139F15N30O10S5
Molecular Weight2642.97 g/mol
Exact Mass2640.97
IUPAC Name5-[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
SMILESCNC1CC(N2CCC(c3ccc(-c4ccc(C(F)(F)F)c(S(C)(=O)=O)c4-c4nn[nH]n4)cc3)CC2)C1.CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CCN(C4CC5(CCNCC5)C4)CC3)cc2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CCN(C4CCCC(N)C4)CC3)cc2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CN(C4CCNC4)C3)cc2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CN(CC4CNC4)C3)cc2)c1-c1nn[nH]n1
InChIInChI=1S/C28H33F3N6O2S.C26H31F3N6O2S.C25H29F3N6O2S.2C22H23F3N6O2S/c1-40(38,39)25-23(28(29,30)31)7-6-22(24(25)26-33-35-36-34-26)20-4-2-18(3-5-20)19-8-14-37(15-9-19)21-16-27(17-21)10-12-32-13-11-27;1-38(36,37)24-22(26(27,28)29)10-9-21(23(24)25-31-33-34-32-25)18-7-5-16(6-8-18)17-11-13-35(14-12-17)20-4-2-3-19(30)15-20;1-29-18-13-19(14-18)34-11-9-16(10-12-34)15-3-5-17(6-4-15)20-7-8-21(25(26,27)28)23(37(2,35)36)22(20)24-30-32-33-31-24;1-34(32,33)20-18(22(23,24)25)7-6-17(19(20)21-27-29-30-28-21)15-4-2-14(3-5-15)16-11-31(12-16)10-13-8-26-9-13;1-34(32,33)20-18(22(23,24)25)7-6-17(19(20)21-27-29-30-28-21)14-4-2-13(3-5-14)15-11-31(12-15)16-8-9-26-10-16/h2-7,19,21,32H,8-17H2,1H3,(H,33,34,35,36);5-10,17,19-20H,2-4,11-15,30H2,1H3,(H,31,32,33,34);3-8,16,18-19,29H,9-14H2,1-2H3,(H,30,31,32,33);2-7,13,16,26H,8-12H2,1H3,(H,27,28,29,30);2-7,15-16,26H,8-12H2,1H3,(H,27,28,29,30)
InChIKeyIVALVJIHPHBNFR-UHFFFAOYSA-N
XLogP18.25
TPSA533.34 Ų
H-Bond Donors10
H-Bond Acceptors35
Rotatable Bonds27
Heavy Atoms183
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002642.97
LogP ≤ 518.25
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1035

Analyze 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 with MolForge

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Related Compounds

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
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
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
3-[3-(1-aminoethenyl)-3,9-diazaspiro[5.5]undecan-9-yl]-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;bis(4-[3-(aminomethyl)-4-methyl-2-(4H-triazol-5-yl)phenyl]cyclohexan-1-amine);5-[2-methylsulfonyl-6-[4-[1-(pyrrolidin-3-ylmethyl)azetidin-3-yl]phenyl]-3-(trifluoromethyl)phenyl]-2H-tetrazole;4-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]butan-1-amine;[1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperidin-4-yl]methanamine
CID 159044584
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
5-[6-[4-[[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]methyl]cyclohexyl]-2-methylsulfonyl-3-(trifluoromethyl)phenyl]-2H-tetrazole;(2S)-2-[[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]methyl]morpholine;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-[[(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 159985311

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNC1CC(N2CCC(c3ccc(-c4ccc(C(F)(F)F)c(S(C)(=O)=O)c4-c4nn[nH]n4)cc3)CC2)C1.CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CCN(C4CC5(CCNCC5)C4)CC3)cc2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CCN(C4CCCC(N)C4)CC3)cc2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CN(C4CCNC4)C3)cc2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CN(CC4CNC4)C3)cc2)c1-c1nn[nH]n1.
What is the InChIKey of 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?
The InChIKey is IVALVJIHPHBNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33F3N6O2S.C26H31F3N6O2S.C25H29F3N6O2S.2C22H23F3N6O2S/c1-40(38,39)25-23(28(29,30)31)7-6-22(24(25)26-33-35-36-34-26)20-4-2-18(3-5-20)19-8-14-37(15-9-19)21-16-27(17-21)10-12-32-13-11-27;1-38(36,37)24-22(26(27,28)29)10-9-21(23(24)25-31-33-34-32-25)18-7-5-16(6-8-18)17-11-13-35(14-12-17)20-4-2-3-19(30)15-20;1-29-18-13-19(14-18)34-11-9-16(10-12-34)15-3-5-17(6-4-15)20-7-8-21(25(26,27)28)23(37(2,35)36)22(20)24-30-32-33-31-24;1-34(32,33)20-18(22(23,24)25)7-6-17(19(20)21-27-29-30-28-21)15-4-2-14(3-5-15)16-11-31(12-16)10-13-8-26-9-13;1-34(32,33)20-18(22(23,24)25)7-6-17(19(20)21-27-29-30-28-21)14-4-2-13(3-5-14)15-11-31(12-15)16-8-9-26-10-16/h2-7,19,21,32H,8-17H2,1H3,(H,33,34,35,36);5-10,17,19-20H,2-4,11-15,30H2,1H3,(H,31,32,33,34);3-8,16,18-19,29H,9-14H2,1-2H3,(H,30,31,32,33);2-7,13,16,26H,8-12H2,1H3,(H,27,28,29,30);2-7,15-16,26H,8-12H2,1H3,(H,27,28,29,30).
What are the key properties of 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?
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 has a molecular weight of 2642.97 g/mol, XLogP of 18.25, 27 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158813933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).