5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl(propan-2-yl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-(propylamino)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(1R,2R,4R)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-(2-fluoroethyl)-2-N-methylcyclohexane-1,2-diamine

C94H119Cl5F10N18O10S9 — CID 160801503

About 5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl(propan-2-yl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-(propylamino)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(1R,2R,4R)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-(2-fluoroethyl)-2-N-methylcyclohexane-1,2-diamine

5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl(propan-2-yl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-(propylamino)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(1R,2R,4R)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-(2-fluoroethyl)-2-N-methylcyclohexane-1,2-diamine (PubChem CID 160801503) has the molecular formula C94H119Cl5F10N18O10S9 and a molecular weight of 2316.95 g/mol. Its IUPAC name is 5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl(propan-2-yl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-(propylamino)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(1R,2R,4R)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-(2-fluoroethyl)-2-N-methylcyclohexane-1,2-diamine.

Molecular Properties

• Compound Name: 5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl(propan-2-yl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-(propylamino)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(1R,2R,4R)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-(2-fluoroethyl)-2-N-methylcyclohexane-1,2-diamine
• PubChem CID: 160801503
• Molecular Formula: C94H119Cl5F10N18O10S9
• Molecular Weight: 2316.95 g/mol
• Exact Mass: 2312.51
• IUPAC Name: 5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl(propan-2-yl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-(propylamino)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(1R,2R,4R)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-(2-fluoroethyl)-2-N-methylcyclohexane-1,2-diamine
• SMILES: CC(C)N(C)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.CCCN[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)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(F)n2)cc1Cl.CN(CCF)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1Cl
• InChI: InChI=1S/C19H22ClF4N3O2S2.C19H23ClF2N4O2S.C19H24ClF2N3O2S2.C19H26ClFN4O2S2.C18H24ClFN4O2S2/c1-27(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;1-26(2)16-7-4-3-6-14(16)23-15-11-13(21)17(10-12(15)20)29(27,28)25-19-9-5-8-18(22)24-19;1-25(8-6-21)17-5-3-2-4-15(17)24-16-11-14(22)18(10-13(16)20)29(26,27)12-19-23-7-9-28-19;1-12(2)25(3)17-7-5-4-6-15(17)23-16-11-14(21)18(10-13(16)20)29(26,27)24-19-22-8-9-28-19;1-2-7-21-14-5-3-4-6-15(14)23-16-11-13(20)17(10-12(16)19)28(25,26)24-18-22-8-9-27-18/h5-6,8-9,11,14,16,26H,3-4,7,10H2,1-2H3;5,8-11,14,16,23H,3-4,6-7H2,1-2H3,(H,24,25);7,9-11,15,17,24H,2-6,8,12H2,1H3;8-12,15,17,23H,4-7H2,1-3H3,(H,22,24);8-11,14-15,21,23H,2-7H2,1H3,(H,22,24)/t11-,14-,16-;14-,16-;2*15-,17-;14-,15-/m10000/s1
• InChIKey: SDDAKKDSTKVPJB-WEMRCAEISA-N
• XLogP: 22.87
• TPSA: 356.38 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 29
• Rotatable Bonds: 35
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2316.95
LogP ≤ 5	22.87
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl(propan-2-yl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-(propylamino)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(1R,2R,4R)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-(2-fluoroethyl)-2-N-methylcyclohexane-1,2-diamine?

The IUPAC name of 5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl(propan-2-yl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-(propylamino)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(1R,2R,4R)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-(2-fluoroethyl)-2-N-methylcyclohexane-1,2-diamine (CID 160801503) is 5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl(propan-2-yl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-(propylamino)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(1R,2R,4R)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-(2-fluoroethyl)-2-N-methylcyclohexane-1,2-diamine.

What is the SMILES notation for 5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl(propan-2-yl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-(propylamino)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(1R,2R,4R)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-(2-fluoroethyl)-2-N-methylcyclohexane-1,2-diamine?

The canonical SMILES for 5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl(propan-2-yl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-(propylamino)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(1R,2R,4R)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-(2-fluoroethyl)-2-N-methylcyclohexane-1,2-diamine is CC(C)N(C)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.CCCN[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)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(F)n2)cc1Cl.CN(CCF)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1Cl.

What is the InChIKey of 5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl(propan-2-yl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-(propylamino)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(1R,2R,4R)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-(2-fluoroethyl)-2-N-methylcyclohexane-1,2-diamine?

The InChIKey is SDDAKKDSTKVPJB-WEMRCAEISA-N. The full InChI is InChI=1S/C19H22ClF4N3O2S2.C19H23ClF2N4O2S.C19H24ClF2N3O2S2.C19H26ClFN4O2S2.C18H24ClFN4O2S2/c1-27(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;1-26(2)16-7-4-3-6-14(16)23-15-11-13(21)17(10-12(15)20)29(27,28)25-19-9-5-8-18(22)24-19;1-25(8-6-21)17-5-3-2-4-15(17)24-16-11-14(22)18(10-13(16)20)29(26,27)12-19-23-7-9-28-19;1-12(2)25(3)17-7-5-4-6-15(17)23-16-11-14(21)18(10-13(16)20)29(26,27)24-19-22-8-9-28-19;1-2-7-21-14-5-3-4-6-15(14)23-16-11-13(20)17(10-12(16)19)28(25,26)24-18-22-8-9-27-18/h5-6,8-9,11,14,16,26H,3-4,7,10H2,1-2H3;5,8-11,14,16,23H,3-4,6-7H2,1-2H3,(H,24,25);7,9-11,15,17,24H,2-6,8,12H2,1H3;8-12,15,17,23H,4-7H2,1-3H3,(H,22,24);8-11,14-15,21,23H,2-7H2,1H3,(H,22,24)/t11-,14-,16-;14-,16-;2*15-,17-;14-,15-/m10000/s1.

What are the key properties of 5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl(propan-2-yl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-(propylamino)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(1R,2R,4R)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-(2-fluoroethyl)-2-N-methylcyclohexane-1,2-diamine?

5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl(propan-2-yl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-(propylamino)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(1R,2R,4R)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-(2-fluoroethyl)-2-N-methylcyclohexane-1,2-diamine has a molecular weight of 2316.95 g/mol, XLogP of 22.87, 35 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl(propan-2-yl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-(propylamino)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(1R,2R,4R)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-(2-fluoroethyl)-2-N-methylcyclohexane-1,2-diamine is sourced from PubChem (CID 160801503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).