5-chloro-6-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-3-sulfonamide;5-chloro-6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide;5-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-2-sulfonamide;6-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-3-sulfonamide;6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide

C120H131Cl2F15N28O12S5 — CID 158835386

About 5-chloro-6-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-3-sulfonamide;5-chloro-6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide;5-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-2-sulfonamide;6-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-3-sulfonamide;6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide

5-chloro-6-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-3-sulfonamide;5-chloro-6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide;5-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-2-sulfonamide;6-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-3-sulfonamide;6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide (PubChem CID 158835386) has the molecular formula C120H131Cl2F15N28O12S5 and a molecular weight of 2673.76 g/mol. Its IUPAC name is 5-chloro-6-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-3-sulfonamide;5-chloro-6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide;5-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-2-sulfonamide;6-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-3-sulfonamide;6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide.

Molecular Properties

• Compound Name: 5-chloro-6-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-3-sulfonamide;5-chloro-6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide;5-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-2-sulfonamide;6-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-3-sulfonamide;6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide
• PubChem CID: 158835386
• Molecular Formula: C120H131Cl2F15N28O12S5
• Molecular Weight: 2673.76 g/mol
• Exact Mass: 2670.82
• IUPAC Name: 5-chloro-6-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-3-sulfonamide;5-chloro-6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide;5-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-2-sulfonamide;6-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-3-sulfonamide;6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide
• SMILES: CN(C)[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1Nc1ccc(S(=O)(=O)Nc2ccncn2)cn1.CN(C)[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1Nc1ccc(S(=O)(=O)Nc2ccncn2)nc1.CN(C)[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1Nc1ncc(S(=O)(=O)Nc2ccncn2)cc1Cl.CN(C)[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1Oc1ccc(S(=O)(=O)Nc2ccncn2)cn1.CN(C)[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1Oc1ncc(S(=O)(=O)Nc2ccncn2)cc1Cl
• InChI: InChI=1S/C24H26ClF3N6O2S.C24H25ClF3N5O3S.2C24H27F3N6O2S.C24H26F3N5O3S/c1-34(2)21-11-16(15-4-3-5-17(10-15)24(26,27)28)6-7-20(21)32-23-19(25)12-18(13-30-23)37(35,36)33-22-8-9-29-14-31-22;1-33(2)20-11-16(15-4-3-5-17(10-15)24(26,27)28)6-7-21(20)36-23-19(25)12-18(13-30-23)37(34,35)32-22-8-9-29-14-31-22;1-33(2)21-13-17(16-4-3-5-18(12-16)24(25,26)27)6-8-20(21)31-19-7-9-23(29-14-19)36(34,35)32-22-10-11-28-15-30-22;1-33(2)21-13-17(16-4-3-5-18(12-16)24(25,26)27)6-8-20(21)31-22-9-7-19(14-29-22)36(34,35)32-23-10-11-28-15-30-23;1-32(2)20-13-17(16-4-3-5-18(12-16)24(25,26)27)6-8-21(20)35-23-9-7-19(14-29-23)36(33,34)31-22-10-11-28-15-30-22/h3-5,8-10,12-14,16,20-21H,6-7,11H2,1-2H3,(H,30,32)(H,29,31,33);3-5,8-10,12-14,16,20-21H,6-7,11H2,1-2H3,(H,29,31,32);3-5,7,9-12,14-15,17,20-21,31H,6,8,13H2,1-2H3,(H,28,30,32);3-5,7,9-12,14-15,17,20-21H,6,8,13H2,1-2H3,(H,29,31)(H,28,30,32);3-5,7,9-12,14-15,17,20-21H,6,8,13H2,1-2H3,(H,28,30,31)/t2*16-,20-,21-;3*17-,20-,21-/m00000/s1
• InChIKey: IXOJTGFXZXSMOY-DVVUNXMWSA-N
• XLogP: 23.09
• TPSA: 494.95 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 35
• Rotatable Bonds: 35
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2673.76
LogP ≤ 5	23.09
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-3-sulfonamide;5-chloro-6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide;5-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-2-sulfonamide;6-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-3-sulfonamide;6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide?

The IUPAC name of 5-chloro-6-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-3-sulfonamide;5-chloro-6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide;5-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-2-sulfonamide;6-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-3-sulfonamide;6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide (CID 158835386) is 5-chloro-6-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-3-sulfonamide;5-chloro-6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide;5-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-2-sulfonamide;6-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-3-sulfonamide;6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide.

What is the SMILES notation for 5-chloro-6-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-3-sulfonamide;5-chloro-6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide;5-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-2-sulfonamide;6-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-3-sulfonamide;6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide?

The canonical SMILES for 5-chloro-6-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-3-sulfonamide;5-chloro-6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide;5-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-2-sulfonamide;6-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-3-sulfonamide;6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide is CN(C)[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1Nc1ccc(S(=O)(=O)Nc2ccncn2)cn1.CN(C)[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1Nc1ccc(S(=O)(=O)Nc2ccncn2)nc1.CN(C)[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1Nc1ncc(S(=O)(=O)Nc2ccncn2)cc1Cl.CN(C)[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1Oc1ccc(S(=O)(=O)Nc2ccncn2)cn1.CN(C)[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1Oc1ncc(S(=O)(=O)Nc2ccncn2)cc1Cl.

What is the InChIKey of 5-chloro-6-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-3-sulfonamide;5-chloro-6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide;5-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-2-sulfonamide;6-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-3-sulfonamide;6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide?

The InChIKey is IXOJTGFXZXSMOY-DVVUNXMWSA-N. The full InChI is InChI=1S/C24H26ClF3N6O2S.C24H25ClF3N5O3S.2C24H27F3N6O2S.C24H26F3N5O3S/c1-34(2)21-11-16(15-4-3-5-17(10-15)24(26,27)28)6-7-20(21)32-23-19(25)12-18(13-30-23)37(35,36)33-22-8-9-29-14-31-22;1-33(2)20-11-16(15-4-3-5-17(10-15)24(26,27)28)6-7-21(20)36-23-19(25)12-18(13-30-23)37(34,35)32-22-8-9-29-14-31-22;1-33(2)21-13-17(16-4-3-5-18(12-16)24(25,26)27)6-8-20(21)31-19-7-9-23(29-14-19)36(34,35)32-22-10-11-28-15-30-22;1-33(2)21-13-17(16-4-3-5-18(12-16)24(25,26)27)6-8-20(21)31-22-9-7-19(14-29-22)36(34,35)32-23-10-11-28-15-30-23;1-32(2)20-13-17(16-4-3-5-18(12-16)24(25,26)27)6-8-21(20)35-23-9-7-19(14-29-23)36(33,34)31-22-10-11-28-15-30-22/h3-5,8-10,12-14,16,20-21H,6-7,11H2,1-2H3,(H,30,32)(H,29,31,33);3-5,8-10,12-14,16,20-21H,6-7,11H2,1-2H3,(H,29,31,32);3-5,7,9-12,14-15,17,20-21,31H,6,8,13H2,1-2H3,(H,28,30,32);3-5,7,9-12,14-15,17,20-21H,6,8,13H2,1-2H3,(H,29,31)(H,28,30,32);3-5,7,9-12,14-15,17,20-21H,6,8,13H2,1-2H3,(H,28,30,31)/t2*16-,20-,21-;3*17-,20-,21-/m00000/s1.

What are the key properties of 5-chloro-6-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-3-sulfonamide;5-chloro-6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide;5-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-2-sulfonamide;6-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-3-sulfonamide;6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide?

5-chloro-6-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-3-sulfonamide;5-chloro-6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide;5-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-2-sulfonamide;6-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-3-sulfonamide;6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide has a molecular weight of 2673.76 g/mol, XLogP of 23.09, 35 rotatable bonds, 8 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-6-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-3-sulfonamide;5-chloro-6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide;5-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-2-sulfonamide;6-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-3-sulfonamide;6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide is sourced from PubChem (CID 158835386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).