2-chloro-5-fluoro-N-[(1S,2S)-2-(4-fluoropiperidin-1-yl)cyclohexyl]-4-(1,3-thiazol-2-ylmethylsulfonyl)aniline;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl(piperidin-4-yl)amino]cyclohexyl]amino]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

C108H138Cl5F11N20O11S7 — CID 159803685

About 2-chloro-5-fluoro-N-[(1S,2S)-2-(4-fluoropiperidin-1-yl)cyclohexyl]-4-(1,3-thiazol-2-ylmethylsulfonyl)aniline;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl(piperidin-4-yl)amino]cyclohexyl]amino]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

2-chloro-5-fluoro-N-[(1S,2S)-2-(4-fluoropiperidin-1-yl)cyclohexyl]-4-(1,3-thiazol-2-ylmethylsulfonyl)aniline;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl(piperidin-4-yl)amino]cyclohexyl]amino]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 (PubChem CID 159803685) has the molecular formula C108H138Cl5F11N20O11S7 and a molecular weight of 2503.13 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-[(1S,2S)-2-(4-fluoropiperidin-1-yl)cyclohexyl]-4-(1,3-thiazol-2-ylmethylsulfonyl)aniline;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl(piperidin-4-yl)amino]cyclohexyl]amino]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.

Molecular Properties

• Compound Name: 2-chloro-5-fluoro-N-[(1S,2S)-2-(4-fluoropiperidin-1-yl)cyclohexyl]-4-(1,3-thiazol-2-ylmethylsulfonyl)aniline;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl(piperidin-4-yl)amino]cyclohexyl]amino]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
• PubChem CID: 159803685
• Molecular Formula: C108H138Cl5F11N20O11S7
• Molecular Weight: 2503.13 g/mol
• Exact Mass: 2498.72
• IUPAC Name: 2-chloro-5-fluoro-N-[(1S,2S)-2-(4-fluoropiperidin-1-yl)cyclohexyl]-4-(1,3-thiazol-2-ylmethylsulfonyl)aniline;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl(piperidin-4-yl)amino]cyclohexyl]amino]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
• SMILES: CN(C)[C@H]1C[C@@H](C(F)(F)F)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2ccncn2)cc1Cl.CN(C1CCNCC1)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2cccc(F)n2)cc1Cl.CN1CCC(N(C)[C@H]2CCCC[C@@H]2Nc2cc(F)c(S(=O)(=O)Nc3cccc(F)n3)cc2Cl)CC1.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
• InChI: InChI=1S/C24H32ClF2N5O2S.C23H30ClF2N5O2S.C21H26ClF2N3O2S2.C20H23ClF4N4O2S.C20H27ClFN3O3S2/c1-31-12-10-16(11-13-31)32(2)21-7-4-3-6-19(21)28-20-15-18(26)22(14-17(20)25)35(33,34)30-24-9-5-8-23(27)29-24;1-31(15-9-11-27-12-10-15)20-6-3-2-5-18(20)28-19-14-17(25)21(13-16(19)24)34(32,33)30-23-8-4-7-22(26)29-23;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;1-13-11-29-20(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/h5,8-9,14-16,19,21,28H,3-4,6-7,10-13H2,1-2H3,(H,29,30);4,7-8,13-15,18,20,27-28H,2-3,5-6,9-12H2,1H3,(H,29,30);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;9-11,16,18,24,26H,3-8,12H2,1-2H3/t19-,21-;18-,20-;17-,19-;12-,16-,18-;16-,18-/m00000/s1
• InChIKey: NKCPSDCHEXDVMC-ATGCJYAHSA-N
• XLogP: 22.03
• TPSA: 383.95 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 31
• Rotatable Bonds: 34
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2503.13
LogP ≤ 5	22.03
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-[(1S,2S)-2-(4-fluoropiperidin-1-yl)cyclohexyl]-4-(1,3-thiazol-2-ylmethylsulfonyl)aniline;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl(piperidin-4-yl)amino]cyclohexyl]amino]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?

The IUPAC name of 2-chloro-5-fluoro-N-[(1S,2S)-2-(4-fluoropiperidin-1-yl)cyclohexyl]-4-(1,3-thiazol-2-ylmethylsulfonyl)aniline;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl(piperidin-4-yl)amino]cyclohexyl]amino]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 (CID 159803685) is 2-chloro-5-fluoro-N-[(1S,2S)-2-(4-fluoropiperidin-1-yl)cyclohexyl]-4-(1,3-thiazol-2-ylmethylsulfonyl)aniline;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl(piperidin-4-yl)amino]cyclohexyl]amino]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.

What is the SMILES notation for 2-chloro-5-fluoro-N-[(1S,2S)-2-(4-fluoropiperidin-1-yl)cyclohexyl]-4-(1,3-thiazol-2-ylmethylsulfonyl)aniline;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl(piperidin-4-yl)amino]cyclohexyl]amino]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?

The canonical SMILES for 2-chloro-5-fluoro-N-[(1S,2S)-2-(4-fluoropiperidin-1-yl)cyclohexyl]-4-(1,3-thiazol-2-ylmethylsulfonyl)aniline;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl(piperidin-4-yl)amino]cyclohexyl]amino]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 is CN(C)[C@H]1C[C@@H](C(F)(F)F)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2ccncn2)cc1Cl.CN(C1CCNCC1)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2cccc(F)n2)cc1Cl.CN1CCC(N(C)[C@H]2CCCC[C@@H]2Nc2cc(F)c(S(=O)(=O)Nc3cccc(F)n3)cc2Cl)CC1.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 2-chloro-5-fluoro-N-[(1S,2S)-2-(4-fluoropiperidin-1-yl)cyclohexyl]-4-(1,3-thiazol-2-ylmethylsulfonyl)aniline;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl(piperidin-4-yl)amino]cyclohexyl]amino]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?

The InChIKey is NKCPSDCHEXDVMC-ATGCJYAHSA-N. The full InChI is InChI=1S/C24H32ClF2N5O2S.C23H30ClF2N5O2S.C21H26ClF2N3O2S2.C20H23ClF4N4O2S.C20H27ClFN3O3S2/c1-31-12-10-16(11-13-31)32(2)21-7-4-3-6-19(21)28-20-15-18(26)22(14-17(20)25)35(33,34)30-24-9-5-8-23(27)29-24;1-31(15-9-11-27-12-10-15)20-6-3-2-5-18(20)28-19-14-17(25)21(13-16(19)24)34(32,33)30-23-8-4-7-22(26)29-23;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;1-13-11-29-20(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/h5,8-9,14-16,19,21,28H,3-4,6-7,10-13H2,1-2H3,(H,29,30);4,7-8,13-15,18,20,27-28H,2-3,5-6,9-12H2,1H3,(H,29,30);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;9-11,16,18,24,26H,3-8,12H2,1-2H3/t19-,21-;18-,20-;17-,19-;12-,16-,18-;16-,18-/m00000/s1.

What are the key properties of 2-chloro-5-fluoro-N-[(1S,2S)-2-(4-fluoropiperidin-1-yl)cyclohexyl]-4-(1,3-thiazol-2-ylmethylsulfonyl)aniline;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl(piperidin-4-yl)amino]cyclohexyl]amino]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?

2-chloro-5-fluoro-N-[(1S,2S)-2-(4-fluoropiperidin-1-yl)cyclohexyl]-4-(1,3-thiazol-2-ylmethylsulfonyl)aniline;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl(piperidin-4-yl)amino]cyclohexyl]amino]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 has a molecular weight of 2503.13 g/mol, XLogP of 22.03, 34 rotatable bonds, 9 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-fluoro-N-[(1S,2S)-2-(4-fluoropiperidin-1-yl)cyclohexyl]-4-(1,3-thiazol-2-ylmethylsulfonyl)aniline;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl(piperidin-4-yl)amino]cyclohexyl]amino]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 is sourced from PubChem (CID 159803685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).