3-[4-[2-(1-aminocyclopropyl)ethyl]cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(2-aminoethylamino)cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(3-aminopropyl)cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(3-aminopropyl)piperidin-1-yl]-2-(4H-triazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(3-azaspiro[5.5]undecan-9-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;bis(3-(4-piperidin-4-ylcyclohexyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide)

C125H166F21N43O14S7 — CID 159778806

IUPAC3-[4-[2-(1-aminocyclopropyl)ethyl]cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(2-aminoethylamino)cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(3-aminopropyl)cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(3-aminopropyl)piperidin-1-yl]-2-(4H-triazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(3-azaspiro[5.5]undecan-9-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;bis(3-(4-piperidin-4-ylcyclohexyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide)
SMILESNC1(CCC2CCC(c3ccc(C(F)(F)F)c(S(N)(=O)=O)c3-c3nn[nH]n3)CC2)CC1.NCCCC1CCC(c2ccc(C(F)(F)F)c(S(N)(=O)=O)c2-c2nn[nH]n2)CC1.NCCCC1CCN(c2ccc(C(F)(F)F)c(S(N)(=O)=O)c2C2=NN=NC2)CC1.NCCNC1CCC(c2ccc(C(F)(F)F)c(S(N)(=O)=O)c2-c2nn[nH]n2)CC1.NS(=O)(=O)c1c(C(F)(F)F)ccc(C2CCC(C3CCNCC3)CC2)c1-c1nn[nH]n1.NS(=O)(=O)c1c(C(F)(F)F)ccc(C2CCC(C3CCNCC3)CC2)c1-c1nn[nH]n1.NS(=O)(=O)c1c(C(F)(F)F)ccc(C2CCC3(CCNCC3)CC2)c1-c1nn[nH]n1
InChIInChI=1S/3C19H25F3N6O2S.C18H23F3N6O2S.2C17H23F3N6O2S.C16H22F3N7O2S/c2*20-19(21,22)15-6-5-14(16(17(15)31(23,29)30)18-25-27-28-26-18)13-3-1-11(2-4-13)12-7-9-24-10-8-12;20-19(21,22)14-6-5-13(15(16(14)31(24,29)30)17-25-27-28-26-17)12-3-1-11(2-4-12)7-8-18(23)9-10-18;19-18(20,21)13-2-1-12(11-3-5-17(6-4-11)7-9-23-10-8-17)14(15(13)30(22,28)29)16-24-26-27-25-16;18-17(19,20)13-8-7-12(11-5-3-10(4-6-11)2-1-9-21)14(15(13)29(22,27)28)16-23-25-26-24-16;18-17(19,20)12-3-4-14(26-8-5-11(6-9-26)2-1-7-21)15(13-10-23-25-24-13)16(12)29(22,27)28;17-16(18,19)12-6-5-11(9-1-3-10(4-2-9)22-8-7-20)13(14(12)29(21,27)28)15-23-25-26-24-15/h2*5-6,11-13,24H,1-4,7-10H2,(H2,23,29,30)(H,25,26,27,28);5-6,11-12H,1-4,7-10,23H2,(H2,24,29,30)(H,25,26,27,28);1-2,11,23H,3-10H2,(H2,22,28,29)(H,24,25,26,27);7-8,10-11H,1-6,9,21H2,(H2,22,27,28)(H,23,24,25,26);3-4,11H,1-2,5-10,21H2,(H2,22,27,28);5-6,9-10,22H,1-4,7-8,20H2,(H2,21,27,28)(H,23,24,25,26)
InChIKeyNHCBNAMMZXWBTE-UHFFFAOYSA-N
MW3118.42 g/mol
LogP17.38
Rot. Bonds35

About 3-[4-[2-(1-aminocyclopropyl)ethyl]cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(2-aminoethylamino)cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(3-aminopropyl)cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(3-aminopropyl)piperidin-1-yl]-2-(4H-triazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(3-azaspiro[5.5]undecan-9-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;bis(3-(4-piperidin-4-ylcyclohexyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide)

3-[4-[2-(1-aminocyclopropyl)ethyl]cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(2-aminoethylamino)cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(3-aminopropyl)cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(3-aminopropyl)piperidin-1-yl]-2-(4H-triazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(3-azaspiro[5.5]undecan-9-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;bis(3-(4-piperidin-4-ylcyclohexyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide) (PubChem CID 159778806) has the molecular formula C125H166F21N43O14S7 and a molecular weight of 3118.42 g/mol. Its IUPAC name is 3-[4-[2-(1-aminocyclopropyl)ethyl]cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(2-aminoethylamino)cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(3-aminopropyl)cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(3-aminopropyl)piperidin-1-yl]-2-(4H-triazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(3-azaspiro[5.5]undecan-9-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;bis(3-(4-piperidin-4-ylcyclohexyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide).

Molecular Properties

Compound Name3-[4-[2-(1-aminocyclopropyl)ethyl]cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(2-aminoethylamino)cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(3-aminopropyl)cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(3-aminopropyl)piperidin-1-yl]-2-(4H-triazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(3-azaspiro[5.5]undecan-9-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;bis(3-(4-piperidin-4-ylcyclohexyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide)
PubChem CID159778806
Molecular FormulaC125H166F21N43O14S7
Molecular Weight3118.42 g/mol
Exact Mass3116.13
IUPAC Name3-[4-[2-(1-aminocyclopropyl)ethyl]cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(2-aminoethylamino)cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(3-aminopropyl)cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(3-aminopropyl)piperidin-1-yl]-2-(4H-triazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(3-azaspiro[5.5]undecan-9-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;bis(3-(4-piperidin-4-ylcyclohexyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide)
SMILESNC1(CCC2CCC(c3ccc(C(F)(F)F)c(S(N)(=O)=O)c3-c3nn[nH]n3)CC2)CC1.NCCCC1CCC(c2ccc(C(F)(F)F)c(S(N)(=O)=O)c2-c2nn[nH]n2)CC1.NCCCC1CCN(c2ccc(C(F)(F)F)c(S(N)(=O)=O)c2C2=NN=NC2)CC1.NCCNC1CCC(c2ccc(C(F)(F)F)c(S(N)(=O)=O)c2-c2nn[nH]n2)CC1.NS(=O)(=O)c1c(C(F)(F)F)ccc(C2CCC(C3CCNCC3)CC2)c1-c1nn[nH]n1.NS(=O)(=O)c1c(C(F)(F)F)ccc(C2CCC(C3CCNCC3)CC2)c1-c1nn[nH]n1.NS(=O)(=O)c1c(C(F)(F)F)ccc(C2CCC3(CCNCC3)CC2)c1-c1nn[nH]n1
InChIInChI=1S/3C19H25F3N6O2S.C18H23F3N6O2S.2C17H23F3N6O2S.C16H22F3N7O2S/c2*20-19(21,22)15-6-5-14(16(17(15)31(23,29)30)18-25-27-28-26-18)13-3-1-11(2-4-13)12-7-9-24-10-8-12;20-19(21,22)14-6-5-13(15(16(14)31(24,29)30)17-25-27-28-26-17)12-3-1-11(2-4-12)7-8-18(23)9-10-18;19-18(20,21)13-2-1-12(11-3-5-17(6-4-11)7-9-23-10-8-17)14(15(13)30(22,28)29)16-24-26-27-25-16;18-17(19,20)13-8-7-12(11-5-3-10(4-6-11)2-1-9-21)14(15(13)29(22,27)28)16-23-25-26-24-16;18-17(19,20)12-3-4-14(26-8-5-11(6-9-26)2-1-7-21)15(13-10-23-25-24-13)16(12)29(22,27)28;17-16(18,19)12-6-5-11(9-1-3-10(4-2-9)22-8-7-20)13(14(12)29(21,27)28)15-23-25-26-24-15/h2*5-6,11-13,24H,1-4,7-10H2,(H2,23,29,30)(H,25,26,27,28);5-6,11-12H,1-4,7-10,23H2,(H2,24,29,30)(H,25,26,27,28);1-2,11,23H,3-10H2,(H2,22,28,29)(H,24,25,26,27);7-8,10-11H,1-6,9,21H2,(H2,22,27,28)(H,23,24,25,26);3-4,11H,1-2,5-10,21H2,(H2,22,27,28);5-6,9-10,22H,1-4,7-8,20H2,(H2,21,27,28)(H,23,24,25,26)
InChIKeyNHCBNAMMZXWBTE-UHFFFAOYSA-N
XLogP17.38
TPSA940.40 Ų
H-Bond Donors21
H-Bond Acceptors44
Rotatable Bonds35
Heavy Atoms210
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003118.42
LogP ≤ 517.38
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1044

Analyze 3-[4-[2-(1-aminocyclopropyl)ethyl]cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(2-aminoethylamino)cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(3-aminopropyl)cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(3-aminopropyl)piperidin-1-yl]-2-(4H-triazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(3-azaspiro[5.5]undecan-9-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;bis(3-(4-piperidin-4-ylcyclohexyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide) with MolForge

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Related Compounds

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
3-[(4aR,8aS)-2,3,4,4a,5,6,8,8a-octahydropyrano[2,3-c]pyridin-7-yl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(2-azaspiro[5.5]undecan-2-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[(1-cyclopentylcyclopropyl)methyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(2,8-diazaspiro[4.5]decan-8-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(2,9-diazaspiro[5.5]undecan-9-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(3-piperidin-4-ylpyrrolidin-1-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 160461328
3-(5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[3-(1-aminocyclopropyl)pyrrolidin-1-yl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(3-aminopyrrolidin-1-yl)piperidin-1-yl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(2,8-diazaspiro[4.5]decan-2-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[3-(3-hydroxypropyl)piperidin-1-yl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(3-piperazin-1-ylpyrrolidin-1-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 161032113
3-(4-cyclohexylpiperidin-1-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;5-[6-[(1-cyclopentylcyclopropyl)methyl]-2-methylsulfonyl-3-(trifluoromethyl)phenyl]-2H-tetrazole;6-methyl-3-(4-methylpiperidin-1-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;8-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane;9-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-2,9-diazaspiro[5.5]undecane;4-[1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]piperidine
CID 161244117
3-[4-[1-(3-aminocyclopentyl)piperidin-4-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[1-[4-(aminomethyl)cyclohexyl]piperidin-4-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[1-(7-azabicyclo[2.2.1]heptan-2-yl)piperidin-4-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(dimethylamino)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-[4-(1-piperidin-4-ylpiperidin-4-yl)phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 161253435
5-[6-cyclobutyl-2-methylsulfonyl-3-(trifluoromethyl)phenyl]-2H-tetrazole;5-[6-cyclohexyl-2-methylsulfonyl-3-(trifluoromethyl)phenyl]-2H-tetrazole;5-[6-cyclopentyl-2-methylsulfonyl-3-(trifluoromethyl)phenyl]-2H-tetrazole;5-[6-cyclopropyl-2-methylsulfonyl-3-(trifluoromethyl)phenyl]-2H-tetrazole;5-[6-methyl-2-methylsulfonyl-3-(trifluoromethyl)phenyl]-2H-tetrazole;5-[2-methylsulfonyl-6-propan-2-yl-3-(trifluoromethyl)phenyl]-2H-tetrazole;6-methyl-3-(1,2,3,4-tetrahydroquinolin-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 161674174
3-[4-[2-(1-aminocyclopropyl)ethyl]cyclohexyl]-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-[4-(2-aminoethylamino)cyclohexyl]-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-[4-(3-aminopropyl)piperidin-1-yl]-6-methyl-2-(4H-triazol-5-yl)benzenesulfonamide;3-(3-azaspiro[5.5]undecan-9-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;bis(4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]piperidine)
CID 161711055
3-(4-aminopiperidin-1-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2,7-diazaspiro[3.5]nonan-2-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2,7-diazaspiro[3.5]nonan-7-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(3,9-diazaspiro[5.5]undecan-3-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-methyl-3-(4-piperazin-1-ylpiperidin-1-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-methyl-3-(4-piperidin-4-ylpiperidin-1-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 158831909
9-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-3-azaspiro[5.5]undecane-3-carboximidamide;2-[4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]cyclohexyl]guanidine;4-[4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]cyclohexyl]piperidine-1-carboximidamide;9-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-3,9-diazaspiro[5.5]undecane-3-carboximidamide;2-[1-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]piperidin-4-yl]guanidine
CID 159339736
3-[3-(1-aminoethenyl)-3,9-diazaspiro[5.5]undecan-9-yl]-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-[4-[1-(1-aminoethenyl)piperidin-4-yl]piperidin-1-yl]-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-[4-(3-aminopropyl)cyclohexyl]-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;N'-[4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]cyclohexyl]ethanimidamide;N'-[1-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]piperidin-4-yl]ethanimidamide
CID 161685789

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(1-aminocyclopropyl)ethyl]cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(2-aminoethylamino)cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(3-aminopropyl)cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(3-aminopropyl)piperidin-1-yl]-2-(4H-triazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(3-azaspiro[5.5]undecan-9-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;bis(3-(4-piperidin-4-ylcyclohexyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide)?
The IUPAC name of 3-[4-[2-(1-aminocyclopropyl)ethyl]cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(2-aminoethylamino)cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(3-aminopropyl)cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(3-aminopropyl)piperidin-1-yl]-2-(4H-triazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(3-azaspiro[5.5]undecan-9-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;bis(3-(4-piperidin-4-ylcyclohexyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide) (CID 159778806) is 3-[4-[2-(1-aminocyclopropyl)ethyl]cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(2-aminoethylamino)cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(3-aminopropyl)cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(3-aminopropyl)piperidin-1-yl]-2-(4H-triazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(3-azaspiro[5.5]undecan-9-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;bis(3-(4-piperidin-4-ylcyclohexyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide).
What is the SMILES notation for 3-[4-[2-(1-aminocyclopropyl)ethyl]cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(2-aminoethylamino)cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(3-aminopropyl)cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(3-aminopropyl)piperidin-1-yl]-2-(4H-triazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(3-azaspiro[5.5]undecan-9-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;bis(3-(4-piperidin-4-ylcyclohexyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide)?
The canonical SMILES for 3-[4-[2-(1-aminocyclopropyl)ethyl]cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(2-aminoethylamino)cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(3-aminopropyl)cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(3-aminopropyl)piperidin-1-yl]-2-(4H-triazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(3-azaspiro[5.5]undecan-9-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;bis(3-(4-piperidin-4-ylcyclohexyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide) is NC1(CCC2CCC(c3ccc(C(F)(F)F)c(S(N)(=O)=O)c3-c3nn[nH]n3)CC2)CC1.NCCCC1CCC(c2ccc(C(F)(F)F)c(S(N)(=O)=O)c2-c2nn[nH]n2)CC1.NCCCC1CCN(c2ccc(C(F)(F)F)c(S(N)(=O)=O)c2C2=NN=NC2)CC1.NCCNC1CCC(c2ccc(C(F)(F)F)c(S(N)(=O)=O)c2-c2nn[nH]n2)CC1.NS(=O)(=O)c1c(C(F)(F)F)ccc(C2CCC(C3CCNCC3)CC2)c1-c1nn[nH]n1.NS(=O)(=O)c1c(C(F)(F)F)ccc(C2CCC(C3CCNCC3)CC2)c1-c1nn[nH]n1.NS(=O)(=O)c1c(C(F)(F)F)ccc(C2CCC3(CCNCC3)CC2)c1-c1nn[nH]n1.
What is the InChIKey of 3-[4-[2-(1-aminocyclopropyl)ethyl]cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(2-aminoethylamino)cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(3-aminopropyl)cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(3-aminopropyl)piperidin-1-yl]-2-(4H-triazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(3-azaspiro[5.5]undecan-9-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;bis(3-(4-piperidin-4-ylcyclohexyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide)?
The InChIKey is NHCBNAMMZXWBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C19H25F3N6O2S.C18H23F3N6O2S.2C17H23F3N6O2S.C16H22F3N7O2S/c2*20-19(21,22)15-6-5-14(16(17(15)31(23,29)30)18-25-27-28-26-18)13-3-1-11(2-4-13)12-7-9-24-10-8-12;20-19(21,22)14-6-5-13(15(16(14)31(24,29)30)17-25-27-28-26-17)12-3-1-11(2-4-12)7-8-18(23)9-10-18;19-18(20,21)13-2-1-12(11-3-5-17(6-4-11)7-9-23-10-8-17)14(15(13)30(22,28)29)16-24-26-27-25-16;18-17(19,20)13-8-7-12(11-5-3-10(4-6-11)2-1-9-21)14(15(13)29(22,27)28)16-23-25-26-24-16;18-17(19,20)12-3-4-14(26-8-5-11(6-9-26)2-1-7-21)15(13-10-23-25-24-13)16(12)29(22,27)28;17-16(18,19)12-6-5-11(9-1-3-10(4-2-9)22-8-7-20)13(14(12)29(21,27)28)15-23-25-26-24-15/h2*5-6,11-13,24H,1-4,7-10H2,(H2,23,29,30)(H,25,26,27,28);5-6,11-12H,1-4,7-10,23H2,(H2,24,29,30)(H,25,26,27,28);1-2,11,23H,3-10H2,(H2,22,28,29)(H,24,25,26,27);7-8,10-11H,1-6,9,21H2,(H2,22,27,28)(H,23,24,25,26);3-4,11H,1-2,5-10,21H2,(H2,22,27,28);5-6,9-10,22H,1-4,7-8,20H2,(H2,21,27,28)(H,23,24,25,26).
What are the key properties of 3-[4-[2-(1-aminocyclopropyl)ethyl]cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(2-aminoethylamino)cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(3-aminopropyl)cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(3-aminopropyl)piperidin-1-yl]-2-(4H-triazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(3-azaspiro[5.5]undecan-9-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;bis(3-(4-piperidin-4-ylcyclohexyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide)?
3-[4-[2-(1-aminocyclopropyl)ethyl]cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(2-aminoethylamino)cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(3-aminopropyl)cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(3-aminopropyl)piperidin-1-yl]-2-(4H-triazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(3-azaspiro[5.5]undecan-9-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;bis(3-(4-piperidin-4-ylcyclohexyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide) has a molecular weight of 3118.42 g/mol, XLogP of 17.38, 35 rotatable bonds, 21 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(1-aminocyclopropyl)ethyl]cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(2-aminoethylamino)cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(3-aminopropyl)cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(3-aminopropyl)piperidin-1-yl]-2-(4H-triazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(3-azaspiro[5.5]undecan-9-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;bis(3-(4-piperidin-4-ylcyclohexyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide) is sourced from PubChem (CID 159778806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).