5-chloro-N-(6-chloro-2-pyridinyl)-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluorobenzenesulfonamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]acetamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]-N-methylacetamide;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4S)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine

C134H161Cl8F19N24O16S13 — CID 162157702

IUPAC5-chloro-N-(6-chloro-2-pyridinyl)-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluorobenzenesulfonamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]acetamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]-N-methylacetamide;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4S)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine
SMILESCN(C)[C@@H]1CC[C@@H](C(F)(F)F)C[C@H]1Nc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1Cl.CN(C)[C@@H]1CC[C@H](C(F)(F)F)C[C@H]1Nc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1Cl.CN(C)[C@@H]1C[C@@H](C(F)(F)F)CC[C@H]1Nc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1Cl.CN(C)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2cccc(Cl)n2)cc1Cl.CN(C)[C@H]1C[C@@H](C(F)(F)F)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1Cl.CN(CC(N)=O)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1Cl.CNC(=O)CN(C)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1Cl
InChIInChI=1S/C20H26ClFN4O3S2.C19H23Cl2FN4O2S.4C19H22ClF4N3O2S2.C19H24ClFN4O3S2/c1-23-19(27)11-26(2)17-6-4-3-5-15(17)25-16-10-14(22)18(9-13(16)21)31(28,29)12-20-24-7-8-30-20;1-26(2)16-7-4-3-6-14(16)23-15-11-13(22)17(10-12(15)20)29(27,28)25-19-9-5-8-18(21)24-19;2*1-27(2)16-4-3-11(19(22,23)24)7-15(16)26-14-9-13(21)17(8-12(14)20)31(28,29)10-18-25-5-6-30-18;2*1-27(2)16-7-11(19(22,23)24)3-4-14(16)26-15-9-13(21)17(8-12(15)20)31(28,29)10-18-25-5-6-30-18;1-25(10-18(22)26)16-5-3-2-4-14(16)24-15-9-13(21)17(8-12(15)20)30(27,28)11-19-23-6-7-29-19/h7-10,15,17,25H,3-6,11-12H2,1-2H3,(H,23,27);5,8-11,14,16,23H,3-4,6-7H2,1-2H3,(H,24,25);2*5-6,8-9,11,15-16,26H,3-4,7,10H2,1-2H3;2*5-6,8-9,11,14,16,26H,3-4,7,10H2,1-2H3;6-9,14,16,24H,2-5,10-11H2,1H3,(H2,22,26)/t15-,17-;14-,16-;11-,15+,16+;11-,15-,16-;11-,14+,16+;11-,14-,16-;14-,16-/m0001000/s1
InChIKeyZMAYEQQIQRFGFM-SFJUDYARSA-N
MW3425.37 g/mol
LogP30.90
Rot. Bonds46

About 5-chloro-N-(6-chloro-2-pyridinyl)-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluorobenzenesulfonamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]acetamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]-N-methylacetamide;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4S)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine

5-chloro-N-(6-chloro-2-pyridinyl)-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluorobenzenesulfonamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]acetamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]-N-methylacetamide;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4S)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine (PubChem CID 162157702) has the molecular formula C134H161Cl8F19N24O16S13 and a molecular weight of 3425.37 g/mol. Its IUPAC name is 5-chloro-N-(6-chloro-2-pyridinyl)-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluorobenzenesulfonamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]acetamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]-N-methylacetamide;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4S)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name5-chloro-N-(6-chloro-2-pyridinyl)-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluorobenzenesulfonamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]acetamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]-N-methylacetamide;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4S)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine
PubChem CID162157702
Molecular FormulaC134H161Cl8F19N24O16S13
Molecular Weight3425.37 g/mol
Exact Mass3418.61
IUPAC Name5-chloro-N-(6-chloro-2-pyridinyl)-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluorobenzenesulfonamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]acetamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]-N-methylacetamide;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4S)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine
SMILESCN(C)[C@@H]1CC[C@@H](C(F)(F)F)C[C@H]1Nc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1Cl.CN(C)[C@@H]1CC[C@H](C(F)(F)F)C[C@H]1Nc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1Cl.CN(C)[C@@H]1C[C@@H](C(F)(F)F)CC[C@H]1Nc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1Cl.CN(C)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2cccc(Cl)n2)cc1Cl.CN(C)[C@H]1C[C@@H](C(F)(F)F)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1Cl.CN(CC(N)=O)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1Cl.CNC(=O)CN(C)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1Cl
InChIInChI=1S/C20H26ClFN4O3S2.C19H23Cl2FN4O2S.4C19H22ClF4N3O2S2.C19H24ClFN4O3S2/c1-23-19(27)11-26(2)17-6-4-3-5-15(17)25-16-10-14(22)18(9-13(16)21)31(28,29)12-20-24-7-8-30-20;1-26(2)16-7-4-3-6-14(16)23-15-11-13(22)17(10-12(15)20)29(27,28)25-19-9-5-8-18(21)24-19;2*1-27(2)16-4-3-11(19(22,23)24)7-15(16)26-14-9-13(21)17(8-12(14)20)31(28,29)10-18-25-5-6-30-18;2*1-27(2)16-7-11(19(22,23)24)3-4-14(16)26-15-9-13(21)17(8-12(15)20)31(28,29)10-18-25-5-6-30-18;1-25(10-18(22)26)16-5-3-2-4-14(16)24-15-9-13(21)17(8-12(15)20)30(27,28)11-19-23-6-7-29-19/h7-10,15,17,25H,3-6,11-12H2,1-2H3,(H,23,27);5,8-11,14,16,23H,3-4,6-7H2,1-2H3,(H,24,25);2*5-6,8-9,11,15-16,26H,3-4,7,10H2,1-2H3;2*5-6,8-9,11,14,16,26H,3-4,7,10H2,1-2H3;6-9,14,16,24H,2-5,10-11H2,1H3,(H2,22,26)/t15-,17-;14-,16-;11-,15+,16+;11-,15-,16-;11-,14+,16+;11-,14-,16-;14-,16-/m0001000/s1
InChIKeyZMAYEQQIQRFGFM-SFJUDYARSA-N
XLogP30.90
TPSA520.32 Ų
H-Bond Donors10
H-Bond Acceptors43
Rotatable Bonds46
Heavy Atoms214
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003425.37
LogP ≤ 530.90
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

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

Analyze 5-chloro-N-(6-chloro-2-pyridinyl)-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluorobenzenesulfonamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]acetamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]-N-methylacetamide;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4S)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(6-chloro-2-pyridinyl)-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluorobenzenesulfonamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]acetamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]-N-methylacetamide;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4S)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine?
The IUPAC name of 5-chloro-N-(6-chloro-2-pyridinyl)-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluorobenzenesulfonamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]acetamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]-N-methylacetamide;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4S)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine (CID 162157702) is 5-chloro-N-(6-chloro-2-pyridinyl)-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluorobenzenesulfonamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]acetamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]-N-methylacetamide;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4S)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine.
What is the SMILES notation for 5-chloro-N-(6-chloro-2-pyridinyl)-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluorobenzenesulfonamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]acetamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]-N-methylacetamide;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4S)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine?
The canonical SMILES for 5-chloro-N-(6-chloro-2-pyridinyl)-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluorobenzenesulfonamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]acetamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]-N-methylacetamide;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4S)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine is CN(C)[C@@H]1CC[C@@H](C(F)(F)F)C[C@H]1Nc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1Cl.CN(C)[C@@H]1CC[C@H](C(F)(F)F)C[C@H]1Nc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1Cl.CN(C)[C@@H]1C[C@@H](C(F)(F)F)CC[C@H]1Nc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1Cl.CN(C)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2cccc(Cl)n2)cc1Cl.CN(C)[C@H]1C[C@@H](C(F)(F)F)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1Cl.CN(CC(N)=O)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1Cl.CNC(=O)CN(C)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1Cl.
What is the InChIKey of 5-chloro-N-(6-chloro-2-pyridinyl)-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluorobenzenesulfonamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]acetamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]-N-methylacetamide;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4S)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine?
The InChIKey is ZMAYEQQIQRFGFM-SFJUDYARSA-N. The full InChI is InChI=1S/C20H26ClFN4O3S2.C19H23Cl2FN4O2S.4C19H22ClF4N3O2S2.C19H24ClFN4O3S2/c1-23-19(27)11-26(2)17-6-4-3-5-15(17)25-16-10-14(22)18(9-13(16)21)31(28,29)12-20-24-7-8-30-20;1-26(2)16-7-4-3-6-14(16)23-15-11-13(22)17(10-12(15)20)29(27,28)25-19-9-5-8-18(21)24-19;2*1-27(2)16-4-3-11(19(22,23)24)7-15(16)26-14-9-13(21)17(8-12(14)20)31(28,29)10-18-25-5-6-30-18;2*1-27(2)16-7-11(19(22,23)24)3-4-14(16)26-15-9-13(21)17(8-12(15)20)31(28,29)10-18-25-5-6-30-18;1-25(10-18(22)26)16-5-3-2-4-14(16)24-15-9-13(21)17(8-12(15)20)30(27,28)11-19-23-6-7-29-19/h7-10,15,17,25H,3-6,11-12H2,1-2H3,(H,23,27);5,8-11,14,16,23H,3-4,6-7H2,1-2H3,(H,24,25);2*5-6,8-9,11,15-16,26H,3-4,7,10H2,1-2H3;2*5-6,8-9,11,14,16,26H,3-4,7,10H2,1-2H3;6-9,14,16,24H,2-5,10-11H2,1H3,(H2,22,26)/t15-,17-;14-,16-;11-,15+,16+;11-,15-,16-;11-,14+,16+;11-,14-,16-;14-,16-/m0001000/s1.
What are the key properties of 5-chloro-N-(6-chloro-2-pyridinyl)-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluorobenzenesulfonamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]acetamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]-N-methylacetamide;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4S)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine?
5-chloro-N-(6-chloro-2-pyridinyl)-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluorobenzenesulfonamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]acetamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]-N-methylacetamide;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4S)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine has a molecular weight of 3425.37 g/mol, XLogP of 30.90, 46 rotatable bonds, 10 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(6-chloro-2-pyridinyl)-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluorobenzenesulfonamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]acetamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]-N-methylacetamide;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4S)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine is sourced from PubChem (CID 162157702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).