5-chloro-4-[[(1S,2S)-2-[cyclobutyl(methyl)amino]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;2-chloro-5-fluoro-N-[(1S,2S)-2-(4-fluoropiperidin-1-yl)cyclohexyl]-4-(1,3-thiazol-2-ylmethylsulfonyl)aniline;5-chloro-2-fluoro-4-[[(1S,2S)-2-[(2-hydroxy-2-methylpropyl)-methylamino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methylsulfonyl]anilino]cyclohexyl]-methylamino]ethanol;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;5-cyclopropyl-4-[(1S,2S)-2-(dimethylamino)cyclohexyl]oxy-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide

C123H157Cl5F11N21O15S10 — CID 162002104

IUPAC5-chloro-4-[[(1S,2S)-2-[cyclobutyl(methyl)amino]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;2-chloro-5-fluoro-N-[(1S,2S)-2-(4-fluoropiperidin-1-yl)cyclohexyl]-4-(1,3-thiazol-2-ylmethylsulfonyl)aniline;5-chloro-2-fluoro-4-[[(1S,2S)-2-[(2-hydroxy-2-methylpropyl)-methylamino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methylsulfonyl]anilino]cyclohexyl]-methylamino]ethanol;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;5-cyclopropyl-4-[(1S,2S)-2-(dimethylamino)cyclohexyl]oxy-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
SMILESCN(C)[C@H]1CCCC[C@@H]1Oc1cc(F)c(S(=O)(=O)Nc2cccc(F)n2)cc1C1CC1.CN(C)[C@H]1C[C@@H](C(F)(F)F)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2ccncn2)cc1Cl.CN(C1CCC1)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.CN(CC(C)(C)O)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.Cc1csc(CS(=O)(=O)c2cc(Cl)c(N[C@H]3CCCC[C@@H]3N(C)CCO)cc2F)n1.O=S(=O)(Cc1nccs1)c1cc(Cl)c(N[C@H]2CCCC[C@@H]2N2CCC(F)CC2)cc1F
InChIInChI=1S/C22H27F2N3O3S.C21H26ClF2N3O2S2.C20H23ClF4N4O2S.C20H28ClFN4O3S2.C20H26ClFN4O2S2.C20H27ClFN3O3S2/c1-27(2)17-6-3-4-7-18(17)30-19-13-16(23)20(12-15(19)14-10-11-14)31(28,29)26-22-9-5-8-21(24)25-22;22-15-11-20(31(28,29)13-21-25-7-10-30-21)16(24)12-18(15)26-17-3-1-2-4-19(17)27-8-5-14(23)6-9-27;1-29(2)18-7-12(20(23,24)25)3-4-16(18)28-17-9-15(22)19(8-14(17)21)32(30,31)10-13-5-6-26-11-27-13;1-20(2,27)12-26(3)17-7-5-4-6-15(17)24-16-11-14(22)18(10-13(16)21)31(28,29)25-19-23-8-9-30-19;1-26(13-5-4-6-13)18-8-3-2-7-16(18)24-17-12-15(22)19(11-14(17)21)30(27,28)25-20-23-9-10-29-20;1-13-11-29-20(23-13)12-30(27,28)19-9-14(21)17(10-15(19)22)24-16-5-3-4-6-18(16)25(2)7-8-26/h5,8-9,12-14,17-18H,3-4,6-7,10-11H2,1-2H3,(H,25,26);7,10-12,14,17,19,26H,1-6,8-9,13H2;5-6,8-9,11-12,16,18,28H,3-4,7,10H2,1-2H3;8-11,15,17,24,27H,4-7,12H2,1-3H3,(H,23,25);9-13,16,18,24H,2-8H2,1H3,(H,23,25);9-11,16,18,24,26H,3-8,12H2,1-2H3/t17-,18-;17-,19-;12-,16-,18-;15-,17-;2*16-,18-/m000000/s1
InChIKeyYSITWSCBYWDDLW-XLMBYYRSSA-N
MW2876.65 g/mol
LogP26.64
Rot. Bonds42

About 5-chloro-4-[[(1S,2S)-2-[cyclobutyl(methyl)amino]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;2-chloro-5-fluoro-N-[(1S,2S)-2-(4-fluoropiperidin-1-yl)cyclohexyl]-4-(1,3-thiazol-2-ylmethylsulfonyl)aniline;5-chloro-2-fluoro-4-[[(1S,2S)-2-[(2-hydroxy-2-methylpropyl)-methylamino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methylsulfonyl]anilino]cyclohexyl]-methylamino]ethanol;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;5-cyclopropyl-4-[(1S,2S)-2-(dimethylamino)cyclohexyl]oxy-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide

5-chloro-4-[[(1S,2S)-2-[cyclobutyl(methyl)amino]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;2-chloro-5-fluoro-N-[(1S,2S)-2-(4-fluoropiperidin-1-yl)cyclohexyl]-4-(1,3-thiazol-2-ylmethylsulfonyl)aniline;5-chloro-2-fluoro-4-[[(1S,2S)-2-[(2-hydroxy-2-methylpropyl)-methylamino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methylsulfonyl]anilino]cyclohexyl]-methylamino]ethanol;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;5-cyclopropyl-4-[(1S,2S)-2-(dimethylamino)cyclohexyl]oxy-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide (PubChem CID 162002104) has the molecular formula C123H157Cl5F11N21O15S10 and a molecular weight of 2876.65 g/mol. Its IUPAC name is 5-chloro-4-[[(1S,2S)-2-[cyclobutyl(methyl)amino]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;2-chloro-5-fluoro-N-[(1S,2S)-2-(4-fluoropiperidin-1-yl)cyclohexyl]-4-(1,3-thiazol-2-ylmethylsulfonyl)aniline;5-chloro-2-fluoro-4-[[(1S,2S)-2-[(2-hydroxy-2-methylpropyl)-methylamino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methylsulfonyl]anilino]cyclohexyl]-methylamino]ethanol;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;5-cyclopropyl-4-[(1S,2S)-2-(dimethylamino)cyclohexyl]oxy-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-4-[[(1S,2S)-2-[cyclobutyl(methyl)amino]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;2-chloro-5-fluoro-N-[(1S,2S)-2-(4-fluoropiperidin-1-yl)cyclohexyl]-4-(1,3-thiazol-2-ylmethylsulfonyl)aniline;5-chloro-2-fluoro-4-[[(1S,2S)-2-[(2-hydroxy-2-methylpropyl)-methylamino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methylsulfonyl]anilino]cyclohexyl]-methylamino]ethanol;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;5-cyclopropyl-4-[(1S,2S)-2-(dimethylamino)cyclohexyl]oxy-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
PubChem CID162002104
Molecular FormulaC123H157Cl5F11N21O15S10
Molecular Weight2876.65 g/mol
Exact Mass2871.76
IUPAC Name5-chloro-4-[[(1S,2S)-2-[cyclobutyl(methyl)amino]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;2-chloro-5-fluoro-N-[(1S,2S)-2-(4-fluoropiperidin-1-yl)cyclohexyl]-4-(1,3-thiazol-2-ylmethylsulfonyl)aniline;5-chloro-2-fluoro-4-[[(1S,2S)-2-[(2-hydroxy-2-methylpropyl)-methylamino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methylsulfonyl]anilino]cyclohexyl]-methylamino]ethanol;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;5-cyclopropyl-4-[(1S,2S)-2-(dimethylamino)cyclohexyl]oxy-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
SMILESCN(C)[C@H]1CCCC[C@@H]1Oc1cc(F)c(S(=O)(=O)Nc2cccc(F)n2)cc1C1CC1.CN(C)[C@H]1C[C@@H](C(F)(F)F)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2ccncn2)cc1Cl.CN(C1CCC1)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.CN(CC(C)(C)O)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.Cc1csc(CS(=O)(=O)c2cc(Cl)c(N[C@H]3CCCC[C@@H]3N(C)CCO)cc2F)n1.O=S(=O)(Cc1nccs1)c1cc(Cl)c(N[C@H]2CCCC[C@@H]2N2CCC(F)CC2)cc1F
InChIInChI=1S/C22H27F2N3O3S.C21H26ClF2N3O2S2.C20H23ClF4N4O2S.C20H28ClFN4O3S2.C20H26ClFN4O2S2.C20H27ClFN3O3S2/c1-27(2)17-6-3-4-7-18(17)30-19-13-16(23)20(12-15(19)14-10-11-14)31(28,29)26-22-9-5-8-21(24)25-22;22-15-11-20(31(28,29)13-21-25-7-10-30-21)16(24)12-18(15)26-17-3-1-2-4-19(17)27-8-5-14(23)6-9-27;1-29(2)18-7-12(20(23,24)25)3-4-16(18)28-17-9-15(22)19(8-14(17)21)32(30,31)10-13-5-6-26-11-27-13;1-20(2,27)12-26(3)17-7-5-4-6-15(17)24-16-11-14(22)18(10-13(16)21)31(28,29)25-19-23-8-9-30-19;1-26(13-5-4-6-13)18-8-3-2-7-16(18)24-17-12-15(22)19(11-14(17)21)30(27,28)25-20-23-9-10-29-20;1-13-11-29-20(23-13)12-30(27,28)19-9-14(21)17(10-15(19)22)24-16-5-3-4-6-18(16)25(2)7-8-26/h5,8-9,12-14,17-18H,3-4,6-7,10-11H2,1-2H3,(H,25,26);7,10-12,14,17,19,26H,1-6,8-9,13H2;5-6,8-9,11-12,16,18,28H,3-4,7,10H2,1-2H3;8-11,15,17,24,27H,4-7,12H2,1-3H3,(H,23,25);9-13,16,18,24H,2-8H2,1H3,(H,23,25);9-11,16,18,24,26H,3-8,12H2,1-2H3/t17-,18-;17-,19-;12-,16-,18-;15-,17-;2*16-,18-/m000000/s1
InChIKeyYSITWSCBYWDDLW-XLMBYYRSSA-N
XLogP26.64
TPSA460.44 Ų
H-Bond Donors10
H-Bond Acceptors37
Rotatable Bonds42
Heavy Atoms185
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002876.65
LogP ≤ 526.64
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

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

Analyze 5-chloro-4-[[(1S,2S)-2-[cyclobutyl(methyl)amino]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;2-chloro-5-fluoro-N-[(1S,2S)-2-(4-fluoropiperidin-1-yl)cyclohexyl]-4-(1,3-thiazol-2-ylmethylsulfonyl)aniline;5-chloro-2-fluoro-4-[[(1S,2S)-2-[(2-hydroxy-2-methylpropyl)-methylamino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methylsulfonyl]anilino]cyclohexyl]-methylamino]ethanol;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;5-cyclopropyl-4-[(1S,2S)-2-(dimethylamino)cyclohexyl]oxy-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[(1S,2S)-2-[cyclobutyl(methyl)amino]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;2-chloro-5-fluoro-N-[(1S,2S)-2-(4-fluoropiperidin-1-yl)cyclohexyl]-4-(1,3-thiazol-2-ylmethylsulfonyl)aniline;5-chloro-2-fluoro-4-[[(1S,2S)-2-[(2-hydroxy-2-methylpropyl)-methylamino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methylsulfonyl]anilino]cyclohexyl]-methylamino]ethanol;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;5-cyclopropyl-4-[(1S,2S)-2-(dimethylamino)cyclohexyl]oxy-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 5-chloro-4-[[(1S,2S)-2-[cyclobutyl(methyl)amino]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;2-chloro-5-fluoro-N-[(1S,2S)-2-(4-fluoropiperidin-1-yl)cyclohexyl]-4-(1,3-thiazol-2-ylmethylsulfonyl)aniline;5-chloro-2-fluoro-4-[[(1S,2S)-2-[(2-hydroxy-2-methylpropyl)-methylamino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methylsulfonyl]anilino]cyclohexyl]-methylamino]ethanol;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;5-cyclopropyl-4-[(1S,2S)-2-(dimethylamino)cyclohexyl]oxy-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide (CID 162002104) is 5-chloro-4-[[(1S,2S)-2-[cyclobutyl(methyl)amino]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;2-chloro-5-fluoro-N-[(1S,2S)-2-(4-fluoropiperidin-1-yl)cyclohexyl]-4-(1,3-thiazol-2-ylmethylsulfonyl)aniline;5-chloro-2-fluoro-4-[[(1S,2S)-2-[(2-hydroxy-2-methylpropyl)-methylamino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methylsulfonyl]anilino]cyclohexyl]-methylamino]ethanol;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;5-cyclopropyl-4-[(1S,2S)-2-(dimethylamino)cyclohexyl]oxy-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-4-[[(1S,2S)-2-[cyclobutyl(methyl)amino]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;2-chloro-5-fluoro-N-[(1S,2S)-2-(4-fluoropiperidin-1-yl)cyclohexyl]-4-(1,3-thiazol-2-ylmethylsulfonyl)aniline;5-chloro-2-fluoro-4-[[(1S,2S)-2-[(2-hydroxy-2-methylpropyl)-methylamino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methylsulfonyl]anilino]cyclohexyl]-methylamino]ethanol;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;5-cyclopropyl-4-[(1S,2S)-2-(dimethylamino)cyclohexyl]oxy-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 5-chloro-4-[[(1S,2S)-2-[cyclobutyl(methyl)amino]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;2-chloro-5-fluoro-N-[(1S,2S)-2-(4-fluoropiperidin-1-yl)cyclohexyl]-4-(1,3-thiazol-2-ylmethylsulfonyl)aniline;5-chloro-2-fluoro-4-[[(1S,2S)-2-[(2-hydroxy-2-methylpropyl)-methylamino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methylsulfonyl]anilino]cyclohexyl]-methylamino]ethanol;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;5-cyclopropyl-4-[(1S,2S)-2-(dimethylamino)cyclohexyl]oxy-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide is CN(C)[C@H]1CCCC[C@@H]1Oc1cc(F)c(S(=O)(=O)Nc2cccc(F)n2)cc1C1CC1.CN(C)[C@H]1C[C@@H](C(F)(F)F)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2ccncn2)cc1Cl.CN(C1CCC1)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.CN(CC(C)(C)O)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.Cc1csc(CS(=O)(=O)c2cc(Cl)c(N[C@H]3CCCC[C@@H]3N(C)CCO)cc2F)n1.O=S(=O)(Cc1nccs1)c1cc(Cl)c(N[C@H]2CCCC[C@@H]2N2CCC(F)CC2)cc1F.
What is the InChIKey of 5-chloro-4-[[(1S,2S)-2-[cyclobutyl(methyl)amino]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;2-chloro-5-fluoro-N-[(1S,2S)-2-(4-fluoropiperidin-1-yl)cyclohexyl]-4-(1,3-thiazol-2-ylmethylsulfonyl)aniline;5-chloro-2-fluoro-4-[[(1S,2S)-2-[(2-hydroxy-2-methylpropyl)-methylamino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methylsulfonyl]anilino]cyclohexyl]-methylamino]ethanol;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;5-cyclopropyl-4-[(1S,2S)-2-(dimethylamino)cyclohexyl]oxy-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide?
The InChIKey is YSITWSCBYWDDLW-XLMBYYRSSA-N. The full InChI is InChI=1S/C22H27F2N3O3S.C21H26ClF2N3O2S2.C20H23ClF4N4O2S.C20H28ClFN4O3S2.C20H26ClFN4O2S2.C20H27ClFN3O3S2/c1-27(2)17-6-3-4-7-18(17)30-19-13-16(23)20(12-15(19)14-10-11-14)31(28,29)26-22-9-5-8-21(24)25-22;22-15-11-20(31(28,29)13-21-25-7-10-30-21)16(24)12-18(15)26-17-3-1-2-4-19(17)27-8-5-14(23)6-9-27;1-29(2)18-7-12(20(23,24)25)3-4-16(18)28-17-9-15(22)19(8-14(17)21)32(30,31)10-13-5-6-26-11-27-13;1-20(2,27)12-26(3)17-7-5-4-6-15(17)24-16-11-14(22)18(10-13(16)21)31(28,29)25-19-23-8-9-30-19;1-26(13-5-4-6-13)18-8-3-2-7-16(18)24-17-12-15(22)19(11-14(17)21)30(27,28)25-20-23-9-10-29-20;1-13-11-29-20(23-13)12-30(27,28)19-9-14(21)17(10-15(19)22)24-16-5-3-4-6-18(16)25(2)7-8-26/h5,8-9,12-14,17-18H,3-4,6-7,10-11H2,1-2H3,(H,25,26);7,10-12,14,17,19,26H,1-6,8-9,13H2;5-6,8-9,11-12,16,18,28H,3-4,7,10H2,1-2H3;8-11,15,17,24,27H,4-7,12H2,1-3H3,(H,23,25);9-13,16,18,24H,2-8H2,1H3,(H,23,25);9-11,16,18,24,26H,3-8,12H2,1-2H3/t17-,18-;17-,19-;12-,16-,18-;15-,17-;2*16-,18-/m000000/s1.
What are the key properties of 5-chloro-4-[[(1S,2S)-2-[cyclobutyl(methyl)amino]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;2-chloro-5-fluoro-N-[(1S,2S)-2-(4-fluoropiperidin-1-yl)cyclohexyl]-4-(1,3-thiazol-2-ylmethylsulfonyl)aniline;5-chloro-2-fluoro-4-[[(1S,2S)-2-[(2-hydroxy-2-methylpropyl)-methylamino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methylsulfonyl]anilino]cyclohexyl]-methylamino]ethanol;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;5-cyclopropyl-4-[(1S,2S)-2-(dimethylamino)cyclohexyl]oxy-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide?
5-chloro-4-[[(1S,2S)-2-[cyclobutyl(methyl)amino]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;2-chloro-5-fluoro-N-[(1S,2S)-2-(4-fluoropiperidin-1-yl)cyclohexyl]-4-(1,3-thiazol-2-ylmethylsulfonyl)aniline;5-chloro-2-fluoro-4-[[(1S,2S)-2-[(2-hydroxy-2-methylpropyl)-methylamino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methylsulfonyl]anilino]cyclohexyl]-methylamino]ethanol;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;5-cyclopropyl-4-[(1S,2S)-2-(dimethylamino)cyclohexyl]oxy-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide has a molecular weight of 2876.65 g/mol, XLogP of 26.64, 42 rotatable bonds, 10 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[(1S,2S)-2-[cyclobutyl(methyl)amino]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;2-chloro-5-fluoro-N-[(1S,2S)-2-(4-fluoropiperidin-1-yl)cyclohexyl]-4-(1,3-thiazol-2-ylmethylsulfonyl)aniline;5-chloro-2-fluoro-4-[[(1S,2S)-2-[(2-hydroxy-2-methylpropyl)-methylamino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methylsulfonyl]anilino]cyclohexyl]-methylamino]ethanol;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;5-cyclopropyl-4-[(1S,2S)-2-(dimethylamino)cyclohexyl]oxy-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 162002104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).