4-[(2-chloro-5-methoxyphenyl)sulfonyl-difluoromethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[[2-chloro-5-(trifluoromethoxy)phenyl]sulfonyl-difluoromethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(2-cyanophenyl)sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[2-(2,5-dimethylpyrazol-3-yl)sulfonylpropan-2-yl]-N-(6-fluoro-3-pyridinyl)piperidine-1-carboxamide;4-[2-[3-(1-fluoroethyl)-1-methylpyrazol-5-yl]sulfonylpropan-2-yl]-N-(2-fluoro-4-pyridinyl)piperidine-1-carboxamide;4-[1-fluoro-1-(3-fluorophenyl)sulfonylethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[1-fluoro-1-(2-methylphenyl)sulfonylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide

C129H149Cl2F14N31O23S8 — CID 162064886

IUPAC4-[(2-chloro-5-methoxyphenyl)sulfonyl-difluoromethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[[2-chloro-5-(trifluoromethoxy)phenyl]sulfonyl-difluoromethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(2-cyanophenyl)sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[2-(2,5-dimethylpyrazol-3-yl)sulfonylpropan-2-yl]-N-(6-fluoro-3-pyridinyl)piperidine-1-carboxamide;4-[2-[3-(1-fluoroethyl)-1-methylpyrazol-5-yl]sulfonylpropan-2-yl]-N-(2-fluoro-4-pyridinyl)piperidine-1-carboxamide;4-[1-fluoro-1-(3-fluorophenyl)sulfonylethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[1-fluoro-1-(2-methylphenyl)sulfonylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide
SMILESCC(F)(C1CCN(C(=O)Nc2ccnnc2)CC1)S(=O)(=O)c1ccccc1C#N.CC(F)(C1CCN(C(=O)Nc2cnns2)CC1)S(=O)(=O)c1cccc(F)c1.CC(F)c1cc(S(=O)(=O)C(C)(C)C2CCN(C(=O)Nc3ccnc(F)c3)CC2)n(C)n1.COc1ccc(Cl)c(S(=O)(=O)C(F)(F)C2CCN(C(=O)Nc3ccnnc3)CC2)c1.Cc1cc(S(=O)(=O)C(C)(C)C2CCN(C(=O)Nc3ccc(F)nc3)CC2)n(C)n1.Cc1ccccc1S(=O)(=O)C(C)(F)C1CCN(C(=O)Nc2ccnnc2)CC1.O=C(Nc1ccnnc1)N1CCC(C(F)(F)S(=O)(=O)c2cc(OC(F)(F)F)ccc2Cl)CC1
InChIInChI=1S/C20H27F2N5O3S.C19H26FN5O3S.C19H20FN5O3S.C19H23FN4O3S.C18H16ClF5N4O4S.C18H19ClF2N4O4S.C16H18F2N4O3S2/c1-13(21)16-12-18(26(4)25-16)31(29,30)20(2,3)14-6-9-27(10-7-14)19(28)24-15-5-8-23-17(22)11-15;1-13-11-17(24(4)23-13)29(27,28)19(2,3)14-7-9-25(10-8-14)18(26)22-15-5-6-16(20)21-12-15;1-19(20,29(27,28)17-5-3-2-4-14(17)12-21)15-7-10-25(11-8-15)18(26)24-16-6-9-22-23-13-16;1-14-5-3-4-6-17(14)28(26,27)19(2,20)15-8-11-24(12-9-15)18(25)23-16-7-10-21-22-13-16;19-14-2-1-13(32-18(22,23)24)9-15(14)33(30,31)17(20,21)11-4-7-28(8-5-11)16(29)27-12-3-6-25-26-10-12;1-29-14-2-3-15(19)16(10-14)30(27,28)18(20,21)12-5-8-25(9-6-12)17(26)24-13-4-7-22-23-11-13;1-16(18,27(24,25)13-4-2-3-12(17)9-13)11-5-7-22(8-6-11)15(23)20-14-10-19-21-26-14/h5,8,11-14H,6-7,9-10H2,1-4H3,(H,23,24,28);5-6,11-12,14H,7-10H2,1-4H3,(H,22,26);2-6,9,13,15H,7-8,10-11H2,1H3,(H,22,24,26);3-7,10,13,15H,8-9,11-12H2,1-2H3,(H,21,23,25);1-3,6,9-11H,4-5,7-8H2,(H,25,27,29);2-4,7,10-12H,5-6,8-9H2,1H3,(H,22,24,26);2-4,9-11H,5-8H2,1H3,(H,20,23)
InChIKeyZAIGOTPCAHECNE-UHFFFAOYSA-N
MW3095.22 g/mol
LogP23.05
Rot. Bonds31

About 4-[(2-chloro-5-methoxyphenyl)sulfonyl-difluoromethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[[2-chloro-5-(trifluoromethoxy)phenyl]sulfonyl-difluoromethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(2-cyanophenyl)sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[2-(2,5-dimethylpyrazol-3-yl)sulfonylpropan-2-yl]-N-(6-fluoro-3-pyridinyl)piperidine-1-carboxamide;4-[2-[3-(1-fluoroethyl)-1-methylpyrazol-5-yl]sulfonylpropan-2-yl]-N-(2-fluoro-4-pyridinyl)piperidine-1-carboxamide;4-[1-fluoro-1-(3-fluorophenyl)sulfonylethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[1-fluoro-1-(2-methylphenyl)sulfonylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide

4-[(2-chloro-5-methoxyphenyl)sulfonyl-difluoromethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[[2-chloro-5-(trifluoromethoxy)phenyl]sulfonyl-difluoromethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(2-cyanophenyl)sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[2-(2,5-dimethylpyrazol-3-yl)sulfonylpropan-2-yl]-N-(6-fluoro-3-pyridinyl)piperidine-1-carboxamide;4-[2-[3-(1-fluoroethyl)-1-methylpyrazol-5-yl]sulfonylpropan-2-yl]-N-(2-fluoro-4-pyridinyl)piperidine-1-carboxamide;4-[1-fluoro-1-(3-fluorophenyl)sulfonylethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[1-fluoro-1-(2-methylphenyl)sulfonylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide (PubChem CID 162064886) has the molecular formula C129H149Cl2F14N31O23S8 and a molecular weight of 3095.22 g/mol. Its IUPAC name is 4-[(2-chloro-5-methoxyphenyl)sulfonyl-difluoromethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[[2-chloro-5-(trifluoromethoxy)phenyl]sulfonyl-difluoromethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(2-cyanophenyl)sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[2-(2,5-dimethylpyrazol-3-yl)sulfonylpropan-2-yl]-N-(6-fluoro-3-pyridinyl)piperidine-1-carboxamide;4-[2-[3-(1-fluoroethyl)-1-methylpyrazol-5-yl]sulfonylpropan-2-yl]-N-(2-fluoro-4-pyridinyl)piperidine-1-carboxamide;4-[1-fluoro-1-(3-fluorophenyl)sulfonylethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[1-fluoro-1-(2-methylphenyl)sulfonylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(2-chloro-5-methoxyphenyl)sulfonyl-difluoromethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[[2-chloro-5-(trifluoromethoxy)phenyl]sulfonyl-difluoromethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(2-cyanophenyl)sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[2-(2,5-dimethylpyrazol-3-yl)sulfonylpropan-2-yl]-N-(6-fluoro-3-pyridinyl)piperidine-1-carboxamide;4-[2-[3-(1-fluoroethyl)-1-methylpyrazol-5-yl]sulfonylpropan-2-yl]-N-(2-fluoro-4-pyridinyl)piperidine-1-carboxamide;4-[1-fluoro-1-(3-fluorophenyl)sulfonylethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[1-fluoro-1-(2-methylphenyl)sulfonylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide
PubChem CID162064886
Molecular FormulaC129H149Cl2F14N31O23S8
Molecular Weight3095.22 g/mol
Exact Mass3091.84
IUPAC Name4-[(2-chloro-5-methoxyphenyl)sulfonyl-difluoromethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[[2-chloro-5-(trifluoromethoxy)phenyl]sulfonyl-difluoromethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(2-cyanophenyl)sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[2-(2,5-dimethylpyrazol-3-yl)sulfonylpropan-2-yl]-N-(6-fluoro-3-pyridinyl)piperidine-1-carboxamide;4-[2-[3-(1-fluoroethyl)-1-methylpyrazol-5-yl]sulfonylpropan-2-yl]-N-(2-fluoro-4-pyridinyl)piperidine-1-carboxamide;4-[1-fluoro-1-(3-fluorophenyl)sulfonylethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[1-fluoro-1-(2-methylphenyl)sulfonylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide
SMILESCC(F)(C1CCN(C(=O)Nc2ccnnc2)CC1)S(=O)(=O)c1ccccc1C#N.CC(F)(C1CCN(C(=O)Nc2cnns2)CC1)S(=O)(=O)c1cccc(F)c1.CC(F)c1cc(S(=O)(=O)C(C)(C)C2CCN(C(=O)Nc3ccnc(F)c3)CC2)n(C)n1.COc1ccc(Cl)c(S(=O)(=O)C(F)(F)C2CCN(C(=O)Nc3ccnnc3)CC2)c1.Cc1cc(S(=O)(=O)C(C)(C)C2CCN(C(=O)Nc3ccc(F)nc3)CC2)n(C)n1.Cc1ccccc1S(=O)(=O)C(C)(F)C1CCN(C(=O)Nc2ccnnc2)CC1.O=C(Nc1ccnnc1)N1CCC(C(F)(F)S(=O)(=O)c2cc(OC(F)(F)F)ccc2Cl)CC1
InChIInChI=1S/C20H27F2N5O3S.C19H26FN5O3S.C19H20FN5O3S.C19H23FN4O3S.C18H16ClF5N4O4S.C18H19ClF2N4O4S.C16H18F2N4O3S2/c1-13(21)16-12-18(26(4)25-16)31(29,30)20(2,3)14-6-9-27(10-7-14)19(28)24-15-5-8-23-17(22)11-15;1-13-11-17(24(4)23-13)29(27,28)19(2,3)14-7-9-25(10-8-14)18(26)22-15-5-6-16(20)21-12-15;1-19(20,29(27,28)17-5-3-2-4-14(17)12-21)15-7-10-25(11-8-15)18(26)24-16-6-9-22-23-13-16;1-14-5-3-4-6-17(14)28(26,27)19(2,20)15-8-11-24(12-9-15)18(25)23-16-7-10-21-22-13-16;19-14-2-1-13(32-18(22,23)24)9-15(14)33(30,31)17(20,21)11-4-7-28(8-5-11)16(29)27-12-3-6-25-26-10-12;1-29-14-2-3-15(19)16(10-14)30(27,28)18(20,21)12-5-8-25(9-6-12)17(26)24-13-4-7-22-23-11-13;1-16(18,27(24,25)13-4-2-3-12(17)9-13)11-5-7-22(8-6-11)15(23)20-14-10-19-21-26-14/h5,8,11-14H,6-7,9-10H2,1-4H3,(H,23,24,28);5-6,11-12,14H,7-10H2,1-4H3,(H,22,26);2-6,9,13,15H,7-8,10-11H2,1H3,(H,22,24,26);3-7,10,13,15H,8-9,11-12H2,1-2H3,(H,21,23,25);1-3,6,9-11H,4-5,7-8H2,(H,25,27,29);2-4,7,10-12H,5-6,8-9H2,1H3,(H,22,24,26);2-4,9-11H,5-8H2,1H3,(H,20,23)
InChIKeyZAIGOTPCAHECNE-UHFFFAOYSA-N
XLogP23.05
TPSA697.93 Ų
H-Bond Donors7
H-Bond Acceptors41
Rotatable Bonds31
Heavy Atoms207
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003095.22
LogP ≤ 523.05
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-[(2-chloro-5-methoxyphenyl)sulfonyl-difluoromethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[[2-chloro-5-(trifluoromethoxy)phenyl]sulfonyl-difluoromethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(2-cyanophenyl)sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[2-(2,5-dimethylpyrazol-3-yl)sulfonylpropan-2-yl]-N-(6-fluoro-3-pyridinyl)piperidine-1-carboxamide;4-[2-[3-(1-fluoroethyl)-1-methylpyrazol-5-yl]sulfonylpropan-2-yl]-N-(2-fluoro-4-pyridinyl)piperidine-1-carboxamide;4-[1-fluoro-1-(3-fluorophenyl)sulfonylethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[1-fluoro-1-(2-methylphenyl)sulfonylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide with MolForge

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Related Compounds

4-[2-(2-chlorophenyl)sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-[4-(1,1-difluoroethoxy)phenyl]sulfonylcyclopropyl]-N-pyridin-4-ylpiperidine-1-carboxamide;4-[1-[4-(1,1-difluoroethoxy)phenyl]sulfonylcyclopropyl]-N-(1,2-thiazol-5-yl)piperidine-1-carboxamide;4-[1-(3-fluoro-5-methylphenyl)sulfonylcyclopropyl]-N-(1,2-thiazol-5-yl)piperidine-1-carboxamide;4-[2-(3-fluoro-5-methylphenyl)sulfonylpropan-2-yl]-N-(1,2-thiazol-5-yl)piperidine-1-carboxamide;4-[1-(2-methylphenyl)sulfonylcyclopropyl]-N-pyridin-4-ylpiperidine-1-carboxamide;4-[2-(3-methylphenyl)sulfonylpropan-2-yl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[2-(1-methylpyrrol-2-yl)sulfonylpropan-2-yl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide
CID 158568199
4-[2-(2-chlorophenyl)sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-[4-(1,1-difluoroethoxy)phenyl]sulfonylcyclopropyl]-N-pyridin-4-ylpiperidine-1-carboxamide;N-(1,6-dihydropyridazin-5-yl)-4-[2-(1-methylpyrrol-2-yl)sulfonylpropan-2-yl]piperidine-1-carboxamide;4-[1-(3-fluoro-5-methylphenyl)sulfonylcyclopropyl]-N-(1,2-thiazol-5-yl)piperidine-1-carboxamide;4-(2-indolizin-7-ylsulfonylpropan-2-yl)-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(2-methylphenyl)sulfonylcyclopropyl]-N-pyridin-4-ylpiperidine-1-carboxamide;4-[2-(1-methylpyrrol-2-yl)sulfonylpropan-2-yl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-(2-pyrazolo[1,5-a]pyridin-6-ylsulfonylpropan-2-yl)-N-pyridazin-4-ylpiperidine-1-carboxamide
CID 159700011
4-[2-(2-chlorophenyl)sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-[4-(1,1-difluoroethoxy)phenyl]sulfonylcyclopropyl]-N-pyridin-4-ylpiperidine-1-carboxamide;4-[1-(3-fluoro-5-methylphenyl)sulfonylcyclopropyl]-N-(1,2-thiazol-5-yl)piperidine-1-carboxamide;4-(2-indolizin-7-ylsulfonylpropan-2-yl)-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(2-methylphenyl)sulfonylcyclopropyl]-N-pyridin-4-ylpiperidine-1-carboxamide;4-[2-(1-methylpyrrol-2-yl)sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[2-(1-methylpyrrol-2-yl)sulfonylpropan-2-yl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-(2-pyrazolo[1,5-a]pyridin-6-ylsulfonylpropan-2-yl)-N-pyridazin-4-ylpiperidine-1-carboxamide
CID 159957524
4-[(2-chloro-5-ethylphenyl)sulfonyl-difluoromethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[[2-chloro-5-(2,2,2-trifluoroethyl)phenyl]sulfonyl-difluoromethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(2-cyanophenyl)sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[2-[3-(1-fluoroethyl)-1-methylpyrazol-5-yl]sulfonylpropan-2-yl]-N-(2-fluoro-4-pyridinyl)piperidine-1-carboxamide;4-[1-fluoro-1-(2-methylphenyl)sulfonylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-fluoro-1-(3-methylphenyl)sulfonylethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[1-(3-methylphenyl)sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide
CID 160282803
4-[2-(2-chlorophenyl)sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-[4-(1,1-difluoroethoxy)phenyl]sulfonylcyclopropyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-[4-(1,1-difluoroethoxy)phenyl]sulfonylcyclopropyl]-N-pyridin-4-ylpiperidine-1-carboxamide;4-[1-(3,5-difluorophenyl)sulfonylcyclopropyl]-N-(1,2-thiazol-5-yl)piperidine-1-carboxamide;4-[1-(2-methylphenyl)sulfonylcyclopropyl]-N-pyridin-4-ylpiperidine-1-carboxamide;4-[2-(1-methylpyrrol-2-yl)sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[2-(1-methylpyrrol-2-yl)sulfonylpropan-2-yl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-(2-pyrazolo[1,5-a]pyridin-5-ylsulfonylpropan-2-yl)-N-pyridazin-4-ylpiperidine-1-carboxamide
CID 161531123
4-[1-[4-(1,1-difluoroethoxy)phenyl]sulfonylcyclopropyl]-N-(1,2-thiazol-5-yl)piperidine-1-carboxamide;4-[(1R)-1-[3-(1,1-difluoroethyl)-1-methylpyrazol-5-yl]sulfonyl-1-fluoroethyl]-N-(2-methyl-4-pyridinyl)piperidine-1-carboxamide;4-[2-(3,5-difluorophenyl)sulfonylpropan-2-yl]-N-(1,2-thiazol-5-yl)piperidine-1-carboxamide;4-[1-(3-fluorophenyl)sulfonylcyclopropyl]-N-(1,2-thiazol-5-yl)piperidine-1-carboxamide;4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[2-(2-methoxyphenyl)sulfonylpropan-2-yl]-N-pyridin-4-ylpiperidine-1-carboxamide;4-[2-(2-methylphenyl)sulfonylpropan-2-yl]-N-pyridin-4-ylpiperidine-1-carboxamide;4-[2-(2-methylphenyl)sulfonylpropan-2-yl]-N-(1,2-thiazol-5-yl)piperidine-1-carboxamide
CID 162202163

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-5-methoxyphenyl)sulfonyl-difluoromethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[[2-chloro-5-(trifluoromethoxy)phenyl]sulfonyl-difluoromethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(2-cyanophenyl)sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[2-(2,5-dimethylpyrazol-3-yl)sulfonylpropan-2-yl]-N-(6-fluoro-3-pyridinyl)piperidine-1-carboxamide;4-[2-[3-(1-fluoroethyl)-1-methylpyrazol-5-yl]sulfonylpropan-2-yl]-N-(2-fluoro-4-pyridinyl)piperidine-1-carboxamide;4-[1-fluoro-1-(3-fluorophenyl)sulfonylethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[1-fluoro-1-(2-methylphenyl)sulfonylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide?
The IUPAC name of 4-[(2-chloro-5-methoxyphenyl)sulfonyl-difluoromethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[[2-chloro-5-(trifluoromethoxy)phenyl]sulfonyl-difluoromethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(2-cyanophenyl)sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[2-(2,5-dimethylpyrazol-3-yl)sulfonylpropan-2-yl]-N-(6-fluoro-3-pyridinyl)piperidine-1-carboxamide;4-[2-[3-(1-fluoroethyl)-1-methylpyrazol-5-yl]sulfonylpropan-2-yl]-N-(2-fluoro-4-pyridinyl)piperidine-1-carboxamide;4-[1-fluoro-1-(3-fluorophenyl)sulfonylethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[1-fluoro-1-(2-methylphenyl)sulfonylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide (CID 162064886) is 4-[(2-chloro-5-methoxyphenyl)sulfonyl-difluoromethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[[2-chloro-5-(trifluoromethoxy)phenyl]sulfonyl-difluoromethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(2-cyanophenyl)sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[2-(2,5-dimethylpyrazol-3-yl)sulfonylpropan-2-yl]-N-(6-fluoro-3-pyridinyl)piperidine-1-carboxamide;4-[2-[3-(1-fluoroethyl)-1-methylpyrazol-5-yl]sulfonylpropan-2-yl]-N-(2-fluoro-4-pyridinyl)piperidine-1-carboxamide;4-[1-fluoro-1-(3-fluorophenyl)sulfonylethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[1-fluoro-1-(2-methylphenyl)sulfonylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[(2-chloro-5-methoxyphenyl)sulfonyl-difluoromethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[[2-chloro-5-(trifluoromethoxy)phenyl]sulfonyl-difluoromethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(2-cyanophenyl)sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[2-(2,5-dimethylpyrazol-3-yl)sulfonylpropan-2-yl]-N-(6-fluoro-3-pyridinyl)piperidine-1-carboxamide;4-[2-[3-(1-fluoroethyl)-1-methylpyrazol-5-yl]sulfonylpropan-2-yl]-N-(2-fluoro-4-pyridinyl)piperidine-1-carboxamide;4-[1-fluoro-1-(3-fluorophenyl)sulfonylethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[1-fluoro-1-(2-methylphenyl)sulfonylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-[(2-chloro-5-methoxyphenyl)sulfonyl-difluoromethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[[2-chloro-5-(trifluoromethoxy)phenyl]sulfonyl-difluoromethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(2-cyanophenyl)sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[2-(2,5-dimethylpyrazol-3-yl)sulfonylpropan-2-yl]-N-(6-fluoro-3-pyridinyl)piperidine-1-carboxamide;4-[2-[3-(1-fluoroethyl)-1-methylpyrazol-5-yl]sulfonylpropan-2-yl]-N-(2-fluoro-4-pyridinyl)piperidine-1-carboxamide;4-[1-fluoro-1-(3-fluorophenyl)sulfonylethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[1-fluoro-1-(2-methylphenyl)sulfonylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide is CC(F)(C1CCN(C(=O)Nc2ccnnc2)CC1)S(=O)(=O)c1ccccc1C#N.CC(F)(C1CCN(C(=O)Nc2cnns2)CC1)S(=O)(=O)c1cccc(F)c1.CC(F)c1cc(S(=O)(=O)C(C)(C)C2CCN(C(=O)Nc3ccnc(F)c3)CC2)n(C)n1.COc1ccc(Cl)c(S(=O)(=O)C(F)(F)C2CCN(C(=O)Nc3ccnnc3)CC2)c1.Cc1cc(S(=O)(=O)C(C)(C)C2CCN(C(=O)Nc3ccc(F)nc3)CC2)n(C)n1.Cc1ccccc1S(=O)(=O)C(C)(F)C1CCN(C(=O)Nc2ccnnc2)CC1.O=C(Nc1ccnnc1)N1CCC(C(F)(F)S(=O)(=O)c2cc(OC(F)(F)F)ccc2Cl)CC1.
What is the InChIKey of 4-[(2-chloro-5-methoxyphenyl)sulfonyl-difluoromethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[[2-chloro-5-(trifluoromethoxy)phenyl]sulfonyl-difluoromethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(2-cyanophenyl)sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[2-(2,5-dimethylpyrazol-3-yl)sulfonylpropan-2-yl]-N-(6-fluoro-3-pyridinyl)piperidine-1-carboxamide;4-[2-[3-(1-fluoroethyl)-1-methylpyrazol-5-yl]sulfonylpropan-2-yl]-N-(2-fluoro-4-pyridinyl)piperidine-1-carboxamide;4-[1-fluoro-1-(3-fluorophenyl)sulfonylethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[1-fluoro-1-(2-methylphenyl)sulfonylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide?
The InChIKey is ZAIGOTPCAHECNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F2N5O3S.C19H26FN5O3S.C19H20FN5O3S.C19H23FN4O3S.C18H16ClF5N4O4S.C18H19ClF2N4O4S.C16H18F2N4O3S2/c1-13(21)16-12-18(26(4)25-16)31(29,30)20(2,3)14-6-9-27(10-7-14)19(28)24-15-5-8-23-17(22)11-15;1-13-11-17(24(4)23-13)29(27,28)19(2,3)14-7-9-25(10-8-14)18(26)22-15-5-6-16(20)21-12-15;1-19(20,29(27,28)17-5-3-2-4-14(17)12-21)15-7-10-25(11-8-15)18(26)24-16-6-9-22-23-13-16;1-14-5-3-4-6-17(14)28(26,27)19(2,20)15-8-11-24(12-9-15)18(25)23-16-7-10-21-22-13-16;19-14-2-1-13(32-18(22,23)24)9-15(14)33(30,31)17(20,21)11-4-7-28(8-5-11)16(29)27-12-3-6-25-26-10-12;1-29-14-2-3-15(19)16(10-14)30(27,28)18(20,21)12-5-8-25(9-6-12)17(26)24-13-4-7-22-23-11-13;1-16(18,27(24,25)13-4-2-3-12(17)9-13)11-5-7-22(8-6-11)15(23)20-14-10-19-21-26-14/h5,8,11-14H,6-7,9-10H2,1-4H3,(H,23,24,28);5-6,11-12,14H,7-10H2,1-4H3,(H,22,26);2-6,9,13,15H,7-8,10-11H2,1H3,(H,22,24,26);3-7,10,13,15H,8-9,11-12H2,1-2H3,(H,21,23,25);1-3,6,9-11H,4-5,7-8H2,(H,25,27,29);2-4,7,10-12H,5-6,8-9H2,1H3,(H,22,24,26);2-4,9-11H,5-8H2,1H3,(H,20,23).
What are the key properties of 4-[(2-chloro-5-methoxyphenyl)sulfonyl-difluoromethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[[2-chloro-5-(trifluoromethoxy)phenyl]sulfonyl-difluoromethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(2-cyanophenyl)sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[2-(2,5-dimethylpyrazol-3-yl)sulfonylpropan-2-yl]-N-(6-fluoro-3-pyridinyl)piperidine-1-carboxamide;4-[2-[3-(1-fluoroethyl)-1-methylpyrazol-5-yl]sulfonylpropan-2-yl]-N-(2-fluoro-4-pyridinyl)piperidine-1-carboxamide;4-[1-fluoro-1-(3-fluorophenyl)sulfonylethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[1-fluoro-1-(2-methylphenyl)sulfonylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide?
4-[(2-chloro-5-methoxyphenyl)sulfonyl-difluoromethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[[2-chloro-5-(trifluoromethoxy)phenyl]sulfonyl-difluoromethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(2-cyanophenyl)sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[2-(2,5-dimethylpyrazol-3-yl)sulfonylpropan-2-yl]-N-(6-fluoro-3-pyridinyl)piperidine-1-carboxamide;4-[2-[3-(1-fluoroethyl)-1-methylpyrazol-5-yl]sulfonylpropan-2-yl]-N-(2-fluoro-4-pyridinyl)piperidine-1-carboxamide;4-[1-fluoro-1-(3-fluorophenyl)sulfonylethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[1-fluoro-1-(2-methylphenyl)sulfonylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide has a molecular weight of 3095.22 g/mol, XLogP of 23.05, 31 rotatable bonds, 7 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-5-methoxyphenyl)sulfonyl-difluoromethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[[2-chloro-5-(trifluoromethoxy)phenyl]sulfonyl-difluoromethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(2-cyanophenyl)sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[2-(2,5-dimethylpyrazol-3-yl)sulfonylpropan-2-yl]-N-(6-fluoro-3-pyridinyl)piperidine-1-carboxamide;4-[2-[3-(1-fluoroethyl)-1-methylpyrazol-5-yl]sulfonylpropan-2-yl]-N-(2-fluoro-4-pyridinyl)piperidine-1-carboxamide;4-[1-fluoro-1-(3-fluorophenyl)sulfonylethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[1-fluoro-1-(2-methylphenyl)sulfonylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide is sourced from PubChem (CID 162064886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).