N-[[1-[3-amino-1-cyclopropyl-4-(2,4,5-trifluorophenyl)butyl]pyrrolidin-2-yl]methyl]cyclopropanesulfonamide;N-[[1-[(3R)-3-amino-1-cyclopropyl-4-(2,4,5-trifluorophenyl)butyl]pyrrolidin-2-yl]methyl]-1,1,1-trifluoromethanesulfonamide;N-[[1-[(4R)-4-amino-5-(2,5-difluorophenyl)-1,1,1-trifluoropentan-2-yl]pyrrolidin-2-yl]methyl]-4-fluorobenzenesulfonamide;N-[[1-[(4R)-4-amino-5-(2,5-difluorophenyl)-1,1,1-trifluoropentan-2-yl]pyrrolidin-2-yl]methyl]-1,1,1-trifluoromethanesulfonamide;N-[[1-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butyl]-4,4-difluoropyrrolidin-2-yl]methyl]cyclopropanesulfonamide;N-[[1-[(4R)-4-amino-1,1,1-trifluoro-5-(2,4,5-trifluorophenyl)pentan-2-yl]pyrrolidin-2-yl]methyl]cyclopropanesulfonamide;N-[[1-[(4R)-4-amino-1,1,1-trifluoro-5-(2,4,5-trifluorophenyl)pentan-2-yl]pyrrolidin-2-yl]methyl]methanesulfonamide

C133H173F40N21O14S7 — CID 158396369

IUPACN-[[1-[3-amino-1-cyclopropyl-4-(2,4,5-trifluorophenyl)butyl]pyrrolidin-2-yl]methyl]cyclopropanesulfonamide;N-[[1-[(3R)-3-amino-1-cyclopropyl-4-(2,4,5-trifluorophenyl)butyl]pyrrolidin-2-yl]methyl]-1,1,1-trifluoromethanesulfonamide;N-[[1-[(4R)-4-amino-5-(2,5-difluorophenyl)-1,1,1-trifluoropentan-2-yl]pyrrolidin-2-yl]methyl]-4-fluorobenzenesulfonamide;N-[[1-[(4R)-4-amino-5-(2,5-difluorophenyl)-1,1,1-trifluoropentan-2-yl]pyrrolidin-2-yl]methyl]-1,1,1-trifluoromethanesulfonamide;N-[[1-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butyl]-4,4-difluoropyrrolidin-2-yl]methyl]cyclopropanesulfonamide;N-[[1-[(4R)-4-amino-1,1,1-trifluoro-5-(2,4,5-trifluorophenyl)pentan-2-yl]pyrrolidin-2-yl]methyl]cyclopropanesulfonamide;N-[[1-[(4R)-4-amino-1,1,1-trifluoro-5-(2,4,5-trifluorophenyl)pentan-2-yl]pyrrolidin-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCN1C(C[C@H](N)Cc1cc(F)c(F)cc1F)C(F)(F)F.NC(Cc1cc(F)c(F)cc1F)CC(C1CC1)N1CCCC1CNS(=O)(=O)C1CC1.N[C@@H](CCN1CC(F)(F)CC1CNS(=O)(=O)C1CC1)Cc1cc(F)c(F)cc1F.N[C@H](Cc1cc(F)c(F)cc1F)CC(C1CC1)N1CCCC1CNS(=O)(=O)C(F)(F)F.N[C@H](Cc1cc(F)c(F)cc1F)CC(N1CCCC1CNS(=O)(=O)C1CC1)C(F)(F)F.N[C@H](Cc1cc(F)ccc1F)CC(N1CCCC1CNS(=O)(=O)C(F)(F)F)C(F)(F)F.N[C@H](Cc1cc(F)ccc1F)CC(N1CCCC1CNS(=O)(=O)c1ccc(F)cc1)C(F)(F)F
InChIInChI=1S/C22H25F6N3O2S.C21H30F3N3O2S.2C19H25F6N3O2S.C18H24F5N3O2S.C17H21F8N3O2S.C17H23F6N3O2S/c23-15-3-6-19(7-4-15)34(32,33)30-13-18-2-1-9-31(18)21(22(26,27)28)12-17(29)11-14-10-16(24)5-8-20(14)25;22-18-11-20(24)19(23)9-14(18)8-15(25)10-21(13-3-4-13)27-7-1-2-16(27)12-26-30(28,29)17-5-6-17;20-15-9-17(22)16(21)7-11(15)6-12(26)8-18(19(23,24)25)28-5-1-2-13(28)10-27-31(29,30)14-3-4-14;20-15-9-17(22)16(21)7-12(15)6-13(26)8-18(11-3-4-11)28-5-1-2-14(28)10-27-31(29,30)19(23,24)25;19-15-7-17(21)16(20)6-11(15)5-12(24)3-4-26-10-18(22,23)8-13(26)9-25-29(27,28)14-1-2-14;18-11-3-4-14(19)10(6-11)7-12(26)8-15(16(20,21)22)28-5-1-2-13(28)9-27-31(29,30)17(23,24)25;1-29(27,28)25-9-12-3-2-4-26(12)16(17(21,22)23)7-11(24)5-10-6-14(19)15(20)8-13(10)18/h3-8,10,17-18,21,30H,1-2,9,11-13,29H2;9,11,13,15-17,21,26H,1-8,10,12,25H2;7,9,12-14,18,27H,1-6,8,10,26H2;7,9,11,13-14,18,27H,1-6,8,10,26H2;6-7,12-14,25H,1-5,8-10,24H2;3-4,6,12-13,15,27H,1-2,5,7-9,26H2;6,8,11-12,16,25H,2-5,7,9,24H2,1H3/t17-,18?,21?;;12-,13?,18?;13-,14?,18?;12-,13?;12-,13?,15?;11-,12?,16?/m1.11011/s1
InChIKeyGXPAWMBSHQHNAG-NFVZVYBDSA-N
MW3274.37 g/mol
LogP19.84
Rot. Bonds62

About N-[[1-[3-amino-1-cyclopropyl-4-(2,4,5-trifluorophenyl)butyl]pyrrolidin-2-yl]methyl]cyclopropanesulfonamide;N-[[1-[(3R)-3-amino-1-cyclopropyl-4-(2,4,5-trifluorophenyl)butyl]pyrrolidin-2-yl]methyl]-1,1,1-trifluoromethanesulfonamide;N-[[1-[(4R)-4-amino-5-(2,5-difluorophenyl)-1,1,1-trifluoropentan-2-yl]pyrrolidin-2-yl]methyl]-4-fluorobenzenesulfonamide;N-[[1-[(4R)-4-amino-5-(2,5-difluorophenyl)-1,1,1-trifluoropentan-2-yl]pyrrolidin-2-yl]methyl]-1,1,1-trifluoromethanesulfonamide;N-[[1-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butyl]-4,4-difluoropyrrolidin-2-yl]methyl]cyclopropanesulfonamide;N-[[1-[(4R)-4-amino-1,1,1-trifluoro-5-(2,4,5-trifluorophenyl)pentan-2-yl]pyrrolidin-2-yl]methyl]cyclopropanesulfonamide;N-[[1-[(4R)-4-amino-1,1,1-trifluoro-5-(2,4,5-trifluorophenyl)pentan-2-yl]pyrrolidin-2-yl]methyl]methanesulfonamide

N-[[1-[3-amino-1-cyclopropyl-4-(2,4,5-trifluorophenyl)butyl]pyrrolidin-2-yl]methyl]cyclopropanesulfonamide;N-[[1-[(3R)-3-amino-1-cyclopropyl-4-(2,4,5-trifluorophenyl)butyl]pyrrolidin-2-yl]methyl]-1,1,1-trifluoromethanesulfonamide;N-[[1-[(4R)-4-amino-5-(2,5-difluorophenyl)-1,1,1-trifluoropentan-2-yl]pyrrolidin-2-yl]methyl]-4-fluorobenzenesulfonamide;N-[[1-[(4R)-4-amino-5-(2,5-difluorophenyl)-1,1,1-trifluoropentan-2-yl]pyrrolidin-2-yl]methyl]-1,1,1-trifluoromethanesulfonamide;N-[[1-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butyl]-4,4-difluoropyrrolidin-2-yl]methyl]cyclopropanesulfonamide;N-[[1-[(4R)-4-amino-1,1,1-trifluoro-5-(2,4,5-trifluorophenyl)pentan-2-yl]pyrrolidin-2-yl]methyl]cyclopropanesulfonamide;N-[[1-[(4R)-4-amino-1,1,1-trifluoro-5-(2,4,5-trifluorophenyl)pentan-2-yl]pyrrolidin-2-yl]methyl]methanesulfonamide (PubChem CID 158396369) has the molecular formula C133H173F40N21O14S7 and a molecular weight of 3274.37 g/mol. Its IUPAC name is N-[[1-[3-amino-1-cyclopropyl-4-(2,4,5-trifluorophenyl)butyl]pyrrolidin-2-yl]methyl]cyclopropanesulfonamide;N-[[1-[(3R)-3-amino-1-cyclopropyl-4-(2,4,5-trifluorophenyl)butyl]pyrrolidin-2-yl]methyl]-1,1,1-trifluoromethanesulfonamide;N-[[1-[(4R)-4-amino-5-(2,5-difluorophenyl)-1,1,1-trifluoropentan-2-yl]pyrrolidin-2-yl]methyl]-4-fluorobenzenesulfonamide;N-[[1-[(4R)-4-amino-5-(2,5-difluorophenyl)-1,1,1-trifluoropentan-2-yl]pyrrolidin-2-yl]methyl]-1,1,1-trifluoromethanesulfonamide;N-[[1-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butyl]-4,4-difluoropyrrolidin-2-yl]methyl]cyclopropanesulfonamide;N-[[1-[(4R)-4-amino-1,1,1-trifluoro-5-(2,4,5-trifluorophenyl)pentan-2-yl]pyrrolidin-2-yl]methyl]cyclopropanesulfonamide;N-[[1-[(4R)-4-amino-1,1,1-trifluoro-5-(2,4,5-trifluorophenyl)pentan-2-yl]pyrrolidin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-[3-amino-1-cyclopropyl-4-(2,4,5-trifluorophenyl)butyl]pyrrolidin-2-yl]methyl]cyclopropanesulfonamide;N-[[1-[(3R)-3-amino-1-cyclopropyl-4-(2,4,5-trifluorophenyl)butyl]pyrrolidin-2-yl]methyl]-1,1,1-trifluoromethanesulfonamide;N-[[1-[(4R)-4-amino-5-(2,5-difluorophenyl)-1,1,1-trifluoropentan-2-yl]pyrrolidin-2-yl]methyl]-4-fluorobenzenesulfonamide;N-[[1-[(4R)-4-amino-5-(2,5-difluorophenyl)-1,1,1-trifluoropentan-2-yl]pyrrolidin-2-yl]methyl]-1,1,1-trifluoromethanesulfonamide;N-[[1-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butyl]-4,4-difluoropyrrolidin-2-yl]methyl]cyclopropanesulfonamide;N-[[1-[(4R)-4-amino-1,1,1-trifluoro-5-(2,4,5-trifluorophenyl)pentan-2-yl]pyrrolidin-2-yl]methyl]cyclopropanesulfonamide;N-[[1-[(4R)-4-amino-1,1,1-trifluoro-5-(2,4,5-trifluorophenyl)pentan-2-yl]pyrrolidin-2-yl]methyl]methanesulfonamide
PubChem CID158396369
Molecular FormulaC133H173F40N21O14S7
Molecular Weight3274.37 g/mol
Exact Mass3272.09
IUPAC NameN-[[1-[3-amino-1-cyclopropyl-4-(2,4,5-trifluorophenyl)butyl]pyrrolidin-2-yl]methyl]cyclopropanesulfonamide;N-[[1-[(3R)-3-amino-1-cyclopropyl-4-(2,4,5-trifluorophenyl)butyl]pyrrolidin-2-yl]methyl]-1,1,1-trifluoromethanesulfonamide;N-[[1-[(4R)-4-amino-5-(2,5-difluorophenyl)-1,1,1-trifluoropentan-2-yl]pyrrolidin-2-yl]methyl]-4-fluorobenzenesulfonamide;N-[[1-[(4R)-4-amino-5-(2,5-difluorophenyl)-1,1,1-trifluoropentan-2-yl]pyrrolidin-2-yl]methyl]-1,1,1-trifluoromethanesulfonamide;N-[[1-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butyl]-4,4-difluoropyrrolidin-2-yl]methyl]cyclopropanesulfonamide;N-[[1-[(4R)-4-amino-1,1,1-trifluoro-5-(2,4,5-trifluorophenyl)pentan-2-yl]pyrrolidin-2-yl]methyl]cyclopropanesulfonamide;N-[[1-[(4R)-4-amino-1,1,1-trifluoro-5-(2,4,5-trifluorophenyl)pentan-2-yl]pyrrolidin-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCN1C(C[C@H](N)Cc1cc(F)c(F)cc1F)C(F)(F)F.NC(Cc1cc(F)c(F)cc1F)CC(C1CC1)N1CCCC1CNS(=O)(=O)C1CC1.N[C@@H](CCN1CC(F)(F)CC1CNS(=O)(=O)C1CC1)Cc1cc(F)c(F)cc1F.N[C@H](Cc1cc(F)c(F)cc1F)CC(C1CC1)N1CCCC1CNS(=O)(=O)C(F)(F)F.N[C@H](Cc1cc(F)c(F)cc1F)CC(N1CCCC1CNS(=O)(=O)C1CC1)C(F)(F)F.N[C@H](Cc1cc(F)ccc1F)CC(N1CCCC1CNS(=O)(=O)C(F)(F)F)C(F)(F)F.N[C@H](Cc1cc(F)ccc1F)CC(N1CCCC1CNS(=O)(=O)c1ccc(F)cc1)C(F)(F)F
InChIInChI=1S/C22H25F6N3O2S.C21H30F3N3O2S.2C19H25F6N3O2S.C18H24F5N3O2S.C17H21F8N3O2S.C17H23F6N3O2S/c23-15-3-6-19(7-4-15)34(32,33)30-13-18-2-1-9-31(18)21(22(26,27)28)12-17(29)11-14-10-16(24)5-8-20(14)25;22-18-11-20(24)19(23)9-14(18)8-15(25)10-21(13-3-4-13)27-7-1-2-16(27)12-26-30(28,29)17-5-6-17;20-15-9-17(22)16(21)7-11(15)6-12(26)8-18(19(23,24)25)28-5-1-2-13(28)10-27-31(29,30)14-3-4-14;20-15-9-17(22)16(21)7-12(15)6-13(26)8-18(11-3-4-11)28-5-1-2-14(28)10-27-31(29,30)19(23,24)25;19-15-7-17(21)16(20)6-11(15)5-12(24)3-4-26-10-18(22,23)8-13(26)9-25-29(27,28)14-1-2-14;18-11-3-4-14(19)10(6-11)7-12(26)8-15(16(20,21)22)28-5-1-2-13(28)9-27-31(29,30)17(23,24)25;1-29(27,28)25-9-12-3-2-4-26(12)16(17(21,22)23)7-11(24)5-10-6-14(19)15(20)8-13(10)18/h3-8,10,17-18,21,30H,1-2,9,11-13,29H2;9,11,13,15-17,21,26H,1-8,10,12,25H2;7,9,12-14,18,27H,1-6,8,10,26H2;7,9,11,13-14,18,27H,1-6,8,10,26H2;6-7,12-14,25H,1-5,8-10,24H2;3-4,6,12-13,15,27H,1-2,5,7-9,26H2;6,8,11-12,16,25H,2-5,7,9,24H2,1H3/t17-,18?,21?;;12-,13?,18?;13-,14?,18?;12-,13?;12-,13?,15?;11-,12?,16?/m1.11011/s1
InChIKeyGXPAWMBSHQHNAG-NFVZVYBDSA-N
XLogP19.84
TPSA528.01 Ų
H-Bond Donors14
H-Bond Acceptors28
Rotatable Bonds62
Heavy Atoms215
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003274.37
LogP ≤ 519.84
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze N-[[1-[3-amino-1-cyclopropyl-4-(2,4,5-trifluorophenyl)butyl]pyrrolidin-2-yl]methyl]cyclopropanesulfonamide;N-[[1-[(3R)-3-amino-1-cyclopropyl-4-(2,4,5-trifluorophenyl)butyl]pyrrolidin-2-yl]methyl]-1,1,1-trifluoromethanesulfonamide;N-[[1-[(4R)-4-amino-5-(2,5-difluorophenyl)-1,1,1-trifluoropentan-2-yl]pyrrolidin-2-yl]methyl]-4-fluorobenzenesulfonamide;N-[[1-[(4R)-4-amino-5-(2,5-difluorophenyl)-1,1,1-trifluoropentan-2-yl]pyrrolidin-2-yl]methyl]-1,1,1-trifluoromethanesulfonamide;N-[[1-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butyl]-4,4-difluoropyrrolidin-2-yl]methyl]cyclopropanesulfonamide;N-[[1-[(4R)-4-amino-1,1,1-trifluoro-5-(2,4,5-trifluorophenyl)pentan-2-yl]pyrrolidin-2-yl]methyl]cyclopropanesulfonamide;N-[[1-[(4R)-4-amino-1,1,1-trifluoro-5-(2,4,5-trifluorophenyl)pentan-2-yl]pyrrolidin-2-yl]methyl]methanesulfonamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-amino-1-cyclopropyl-4-(2,4,5-trifluorophenyl)butyl]pyrrolidin-2-yl]methyl]cyclopropanesulfonamide;N-[[1-[(3R)-3-amino-1-cyclopropyl-4-(2,4,5-trifluorophenyl)butyl]pyrrolidin-2-yl]methyl]-1,1,1-trifluoromethanesulfonamide;N-[[1-[(4R)-4-amino-5-(2,5-difluorophenyl)-1,1,1-trifluoropentan-2-yl]pyrrolidin-2-yl]methyl]-4-fluorobenzenesulfonamide;N-[[1-[(4R)-4-amino-5-(2,5-difluorophenyl)-1,1,1-trifluoropentan-2-yl]pyrrolidin-2-yl]methyl]-1,1,1-trifluoromethanesulfonamide;N-[[1-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butyl]-4,4-difluoropyrrolidin-2-yl]methyl]cyclopropanesulfonamide;N-[[1-[(4R)-4-amino-1,1,1-trifluoro-5-(2,4,5-trifluorophenyl)pentan-2-yl]pyrrolidin-2-yl]methyl]cyclopropanesulfonamide;N-[[1-[(4R)-4-amino-1,1,1-trifluoro-5-(2,4,5-trifluorophenyl)pentan-2-yl]pyrrolidin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-[3-amino-1-cyclopropyl-4-(2,4,5-trifluorophenyl)butyl]pyrrolidin-2-yl]methyl]cyclopropanesulfonamide;N-[[1-[(3R)-3-amino-1-cyclopropyl-4-(2,4,5-trifluorophenyl)butyl]pyrrolidin-2-yl]methyl]-1,1,1-trifluoromethanesulfonamide;N-[[1-[(4R)-4-amino-5-(2,5-difluorophenyl)-1,1,1-trifluoropentan-2-yl]pyrrolidin-2-yl]methyl]-4-fluorobenzenesulfonamide;N-[[1-[(4R)-4-amino-5-(2,5-difluorophenyl)-1,1,1-trifluoropentan-2-yl]pyrrolidin-2-yl]methyl]-1,1,1-trifluoromethanesulfonamide;N-[[1-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butyl]-4,4-difluoropyrrolidin-2-yl]methyl]cyclopropanesulfonamide;N-[[1-[(4R)-4-amino-1,1,1-trifluoro-5-(2,4,5-trifluorophenyl)pentan-2-yl]pyrrolidin-2-yl]methyl]cyclopropanesulfonamide;N-[[1-[(4R)-4-amino-1,1,1-trifluoro-5-(2,4,5-trifluorophenyl)pentan-2-yl]pyrrolidin-2-yl]methyl]methanesulfonamide (CID 158396369) is N-[[1-[3-amino-1-cyclopropyl-4-(2,4,5-trifluorophenyl)butyl]pyrrolidin-2-yl]methyl]cyclopropanesulfonamide;N-[[1-[(3R)-3-amino-1-cyclopropyl-4-(2,4,5-trifluorophenyl)butyl]pyrrolidin-2-yl]methyl]-1,1,1-trifluoromethanesulfonamide;N-[[1-[(4R)-4-amino-5-(2,5-difluorophenyl)-1,1,1-trifluoropentan-2-yl]pyrrolidin-2-yl]methyl]-4-fluorobenzenesulfonamide;N-[[1-[(4R)-4-amino-5-(2,5-difluorophenyl)-1,1,1-trifluoropentan-2-yl]pyrrolidin-2-yl]methyl]-1,1,1-trifluoromethanesulfonamide;N-[[1-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butyl]-4,4-difluoropyrrolidin-2-yl]methyl]cyclopropanesulfonamide;N-[[1-[(4R)-4-amino-1,1,1-trifluoro-5-(2,4,5-trifluorophenyl)pentan-2-yl]pyrrolidin-2-yl]methyl]cyclopropanesulfonamide;N-[[1-[(4R)-4-amino-1,1,1-trifluoro-5-(2,4,5-trifluorophenyl)pentan-2-yl]pyrrolidin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-[3-amino-1-cyclopropyl-4-(2,4,5-trifluorophenyl)butyl]pyrrolidin-2-yl]methyl]cyclopropanesulfonamide;N-[[1-[(3R)-3-amino-1-cyclopropyl-4-(2,4,5-trifluorophenyl)butyl]pyrrolidin-2-yl]methyl]-1,1,1-trifluoromethanesulfonamide;N-[[1-[(4R)-4-amino-5-(2,5-difluorophenyl)-1,1,1-trifluoropentan-2-yl]pyrrolidin-2-yl]methyl]-4-fluorobenzenesulfonamide;N-[[1-[(4R)-4-amino-5-(2,5-difluorophenyl)-1,1,1-trifluoropentan-2-yl]pyrrolidin-2-yl]methyl]-1,1,1-trifluoromethanesulfonamide;N-[[1-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butyl]-4,4-difluoropyrrolidin-2-yl]methyl]cyclopropanesulfonamide;N-[[1-[(4R)-4-amino-1,1,1-trifluoro-5-(2,4,5-trifluorophenyl)pentan-2-yl]pyrrolidin-2-yl]methyl]cyclopropanesulfonamide;N-[[1-[(4R)-4-amino-1,1,1-trifluoro-5-(2,4,5-trifluorophenyl)pentan-2-yl]pyrrolidin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-[3-amino-1-cyclopropyl-4-(2,4,5-trifluorophenyl)butyl]pyrrolidin-2-yl]methyl]cyclopropanesulfonamide;N-[[1-[(3R)-3-amino-1-cyclopropyl-4-(2,4,5-trifluorophenyl)butyl]pyrrolidin-2-yl]methyl]-1,1,1-trifluoromethanesulfonamide;N-[[1-[(4R)-4-amino-5-(2,5-difluorophenyl)-1,1,1-trifluoropentan-2-yl]pyrrolidin-2-yl]methyl]-4-fluorobenzenesulfonamide;N-[[1-[(4R)-4-amino-5-(2,5-difluorophenyl)-1,1,1-trifluoropentan-2-yl]pyrrolidin-2-yl]methyl]-1,1,1-trifluoromethanesulfonamide;N-[[1-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butyl]-4,4-difluoropyrrolidin-2-yl]methyl]cyclopropanesulfonamide;N-[[1-[(4R)-4-amino-1,1,1-trifluoro-5-(2,4,5-trifluorophenyl)pentan-2-yl]pyrrolidin-2-yl]methyl]cyclopropanesulfonamide;N-[[1-[(4R)-4-amino-1,1,1-trifluoro-5-(2,4,5-trifluorophenyl)pentan-2-yl]pyrrolidin-2-yl]methyl]methanesulfonamide is CS(=O)(=O)NCC1CCCN1C(C[C@H](N)Cc1cc(F)c(F)cc1F)C(F)(F)F.NC(Cc1cc(F)c(F)cc1F)CC(C1CC1)N1CCCC1CNS(=O)(=O)C1CC1.N[C@@H](CCN1CC(F)(F)CC1CNS(=O)(=O)C1CC1)Cc1cc(F)c(F)cc1F.N[C@H](Cc1cc(F)c(F)cc1F)CC(C1CC1)N1CCCC1CNS(=O)(=O)C(F)(F)F.N[C@H](Cc1cc(F)c(F)cc1F)CC(N1CCCC1CNS(=O)(=O)C1CC1)C(F)(F)F.N[C@H](Cc1cc(F)ccc1F)CC(N1CCCC1CNS(=O)(=O)C(F)(F)F)C(F)(F)F.N[C@H](Cc1cc(F)ccc1F)CC(N1CCCC1CNS(=O)(=O)c1ccc(F)cc1)C(F)(F)F.
What is the InChIKey of N-[[1-[3-amino-1-cyclopropyl-4-(2,4,5-trifluorophenyl)butyl]pyrrolidin-2-yl]methyl]cyclopropanesulfonamide;N-[[1-[(3R)-3-amino-1-cyclopropyl-4-(2,4,5-trifluorophenyl)butyl]pyrrolidin-2-yl]methyl]-1,1,1-trifluoromethanesulfonamide;N-[[1-[(4R)-4-amino-5-(2,5-difluorophenyl)-1,1,1-trifluoropentan-2-yl]pyrrolidin-2-yl]methyl]-4-fluorobenzenesulfonamide;N-[[1-[(4R)-4-amino-5-(2,5-difluorophenyl)-1,1,1-trifluoropentan-2-yl]pyrrolidin-2-yl]methyl]-1,1,1-trifluoromethanesulfonamide;N-[[1-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butyl]-4,4-difluoropyrrolidin-2-yl]methyl]cyclopropanesulfonamide;N-[[1-[(4R)-4-amino-1,1,1-trifluoro-5-(2,4,5-trifluorophenyl)pentan-2-yl]pyrrolidin-2-yl]methyl]cyclopropanesulfonamide;N-[[1-[(4R)-4-amino-1,1,1-trifluoro-5-(2,4,5-trifluorophenyl)pentan-2-yl]pyrrolidin-2-yl]methyl]methanesulfonamide?
The InChIKey is GXPAWMBSHQHNAG-NFVZVYBDSA-N. The full InChI is InChI=1S/C22H25F6N3O2S.C21H30F3N3O2S.2C19H25F6N3O2S.C18H24F5N3O2S.C17H21F8N3O2S.C17H23F6N3O2S/c23-15-3-6-19(7-4-15)34(32,33)30-13-18-2-1-9-31(18)21(22(26,27)28)12-17(29)11-14-10-16(24)5-8-20(14)25;22-18-11-20(24)19(23)9-14(18)8-15(25)10-21(13-3-4-13)27-7-1-2-16(27)12-26-30(28,29)17-5-6-17;20-15-9-17(22)16(21)7-11(15)6-12(26)8-18(19(23,24)25)28-5-1-2-13(28)10-27-31(29,30)14-3-4-14;20-15-9-17(22)16(21)7-12(15)6-13(26)8-18(11-3-4-11)28-5-1-2-14(28)10-27-31(29,30)19(23,24)25;19-15-7-17(21)16(20)6-11(15)5-12(24)3-4-26-10-18(22,23)8-13(26)9-25-29(27,28)14-1-2-14;18-11-3-4-14(19)10(6-11)7-12(26)8-15(16(20,21)22)28-5-1-2-13(28)9-27-31(29,30)17(23,24)25;1-29(27,28)25-9-12-3-2-4-26(12)16(17(21,22)23)7-11(24)5-10-6-14(19)15(20)8-13(10)18/h3-8,10,17-18,21,30H,1-2,9,11-13,29H2;9,11,13,15-17,21,26H,1-8,10,12,25H2;7,9,12-14,18,27H,1-6,8,10,26H2;7,9,11,13-14,18,27H,1-6,8,10,26H2;6-7,12-14,25H,1-5,8-10,24H2;3-4,6,12-13,15,27H,1-2,5,7-9,26H2;6,8,11-12,16,25H,2-5,7,9,24H2,1H3/t17-,18?,21?;;12-,13?,18?;13-,14?,18?;12-,13?;12-,13?,15?;11-,12?,16?/m1.11011/s1.
What are the key properties of N-[[1-[3-amino-1-cyclopropyl-4-(2,4,5-trifluorophenyl)butyl]pyrrolidin-2-yl]methyl]cyclopropanesulfonamide;N-[[1-[(3R)-3-amino-1-cyclopropyl-4-(2,4,5-trifluorophenyl)butyl]pyrrolidin-2-yl]methyl]-1,1,1-trifluoromethanesulfonamide;N-[[1-[(4R)-4-amino-5-(2,5-difluorophenyl)-1,1,1-trifluoropentan-2-yl]pyrrolidin-2-yl]methyl]-4-fluorobenzenesulfonamide;N-[[1-[(4R)-4-amino-5-(2,5-difluorophenyl)-1,1,1-trifluoropentan-2-yl]pyrrolidin-2-yl]methyl]-1,1,1-trifluoromethanesulfonamide;N-[[1-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butyl]-4,4-difluoropyrrolidin-2-yl]methyl]cyclopropanesulfonamide;N-[[1-[(4R)-4-amino-1,1,1-trifluoro-5-(2,4,5-trifluorophenyl)pentan-2-yl]pyrrolidin-2-yl]methyl]cyclopropanesulfonamide;N-[[1-[(4R)-4-amino-1,1,1-trifluoro-5-(2,4,5-trifluorophenyl)pentan-2-yl]pyrrolidin-2-yl]methyl]methanesulfonamide?
N-[[1-[3-amino-1-cyclopropyl-4-(2,4,5-trifluorophenyl)butyl]pyrrolidin-2-yl]methyl]cyclopropanesulfonamide;N-[[1-[(3R)-3-amino-1-cyclopropyl-4-(2,4,5-trifluorophenyl)butyl]pyrrolidin-2-yl]methyl]-1,1,1-trifluoromethanesulfonamide;N-[[1-[(4R)-4-amino-5-(2,5-difluorophenyl)-1,1,1-trifluoropentan-2-yl]pyrrolidin-2-yl]methyl]-4-fluorobenzenesulfonamide;N-[[1-[(4R)-4-amino-5-(2,5-difluorophenyl)-1,1,1-trifluoropentan-2-yl]pyrrolidin-2-yl]methyl]-1,1,1-trifluoromethanesulfonamide;N-[[1-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butyl]-4,4-difluoropyrrolidin-2-yl]methyl]cyclopropanesulfonamide;N-[[1-[(4R)-4-amino-1,1,1-trifluoro-5-(2,4,5-trifluorophenyl)pentan-2-yl]pyrrolidin-2-yl]methyl]cyclopropanesulfonamide;N-[[1-[(4R)-4-amino-1,1,1-trifluoro-5-(2,4,5-trifluorophenyl)pentan-2-yl]pyrrolidin-2-yl]methyl]methanesulfonamide has a molecular weight of 3274.37 g/mol, XLogP of 19.84, 62 rotatable bonds, 14 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-amino-1-cyclopropyl-4-(2,4,5-trifluorophenyl)butyl]pyrrolidin-2-yl]methyl]cyclopropanesulfonamide;N-[[1-[(3R)-3-amino-1-cyclopropyl-4-(2,4,5-trifluorophenyl)butyl]pyrrolidin-2-yl]methyl]-1,1,1-trifluoromethanesulfonamide;N-[[1-[(4R)-4-amino-5-(2,5-difluorophenyl)-1,1,1-trifluoropentan-2-yl]pyrrolidin-2-yl]methyl]-4-fluorobenzenesulfonamide;N-[[1-[(4R)-4-amino-5-(2,5-difluorophenyl)-1,1,1-trifluoropentan-2-yl]pyrrolidin-2-yl]methyl]-1,1,1-trifluoromethanesulfonamide;N-[[1-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butyl]-4,4-difluoropyrrolidin-2-yl]methyl]cyclopropanesulfonamide;N-[[1-[(4R)-4-amino-1,1,1-trifluoro-5-(2,4,5-trifluorophenyl)pentan-2-yl]pyrrolidin-2-yl]methyl]cyclopropanesulfonamide;N-[[1-[(4R)-4-amino-1,1,1-trifluoro-5-(2,4,5-trifluorophenyl)pentan-2-yl]pyrrolidin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 158396369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).