(1S,2S,5S)-5-(3-chlorophenyl)-2-[[3-chloro-5-(pyrimidin-4-ylmethylsulfonyl)-2-pyridinyl]oxy]-N,N-dimethylcyclohexan-1-amine;6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethoxy)phenyl]cyclohexyl]oxy-2-methyl-N-pyrimidin-4-ylpyridine-3-sulfonamide;6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-5-ethyl-N-pyrimidin-4-ylpyridine-3-sulfonamide;(1S,2S,5S)-N,N-dimethyl-2-[[5-(pyrimidin-4-ylmethylsulfonyl)-2-pyridinyl]oxy]-5-[3-(trifluoromethoxy)phenyl]cyclohexan-1-amine;4-[[6-[(1S,2S,4S)-2-piperidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-3-pyridinyl]sulfonylmethyl]pyrimidine

C128H142Cl2F12N22O17S5 — CID 160540530

About (1S,2S,5S)-5-(3-chlorophenyl)-2-[[3-chloro-5-(pyrimidin-4-ylmethylsulfonyl)-2-pyridinyl]oxy]-N,N-dimethylcyclohexan-1-amine;6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethoxy)phenyl]cyclohexyl]oxy-2-methyl-N-pyrimidin-4-ylpyridine-3-sulfonamide;6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-5-ethyl-N-pyrimidin-4-ylpyridine-3-sulfonamide;(1S,2S,5S)-N,N-dimethyl-2-[[5-(pyrimidin-4-ylmethylsulfonyl)-2-pyridinyl]oxy]-5-[3-(trifluoromethoxy)phenyl]cyclohexan-1-amine;4-[[6-[(1S,2S,4S)-2-piperidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-3-pyridinyl]sulfonylmethyl]pyrimidine

(1S,2S,5S)-5-(3-chlorophenyl)-2-[[3-chloro-5-(pyrimidin-4-ylmethylsulfonyl)-2-pyridinyl]oxy]-N,N-dimethylcyclohexan-1-amine;6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethoxy)phenyl]cyclohexyl]oxy-2-methyl-N-pyrimidin-4-ylpyridine-3-sulfonamide;6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-5-ethyl-N-pyrimidin-4-ylpyridine-3-sulfonamide;(1S,2S,5S)-N,N-dimethyl-2-[[5-(pyrimidin-4-ylmethylsulfonyl)-2-pyridinyl]oxy]-5-[3-(trifluoromethoxy)phenyl]cyclohexan-1-amine;4-[[6-[(1S,2S,4S)-2-piperidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-3-pyridinyl]sulfonylmethyl]pyrimidine (PubChem CID 160540530) has the molecular formula C128H142Cl2F12N22O17S5 and a molecular weight of 2719.90 g/mol. Its IUPAC name is (1S,2S,5S)-5-(3-chlorophenyl)-2-[[3-chloro-5-(pyrimidin-4-ylmethylsulfonyl)-2-pyridinyl]oxy]-N,N-dimethylcyclohexan-1-amine;6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethoxy)phenyl]cyclohexyl]oxy-2-methyl-N-pyrimidin-4-ylpyridine-3-sulfonamide;6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-5-ethyl-N-pyrimidin-4-ylpyridine-3-sulfonamide;(1S,2S,5S)-N,N-dimethyl-2-[[5-(pyrimidin-4-ylmethylsulfonyl)-2-pyridinyl]oxy]-5-[3-(trifluoromethoxy)phenyl]cyclohexan-1-amine;4-[[6-[(1S,2S,4S)-2-piperidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-3-pyridinyl]sulfonylmethyl]pyrimidine.

Molecular Properties

• Compound Name: (1S,2S,5S)-5-(3-chlorophenyl)-2-[[3-chloro-5-(pyrimidin-4-ylmethylsulfonyl)-2-pyridinyl]oxy]-N,N-dimethylcyclohexan-1-amine;6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethoxy)phenyl]cyclohexyl]oxy-2-methyl-N-pyrimidin-4-ylpyridine-3-sulfonamide;6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-5-ethyl-N-pyrimidin-4-ylpyridine-3-sulfonamide;(1S,2S,5S)-N,N-dimethyl-2-[[5-(pyrimidin-4-ylmethylsulfonyl)-2-pyridinyl]oxy]-5-[3-(trifluoromethoxy)phenyl]cyclohexan-1-amine;4-[[6-[(1S,2S,4S)-2-piperidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-3-pyridinyl]sulfonylmethyl]pyrimidine
• PubChem CID: 160540530
• Molecular Formula: C128H142Cl2F12N22O17S5
• Molecular Weight: 2719.90 g/mol
• Exact Mass: 2716.87
• IUPAC Name: (1S,2S,5S)-5-(3-chlorophenyl)-2-[[3-chloro-5-(pyrimidin-4-ylmethylsulfonyl)-2-pyridinyl]oxy]-N,N-dimethylcyclohexan-1-amine;6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethoxy)phenyl]cyclohexyl]oxy-2-methyl-N-pyrimidin-4-ylpyridine-3-sulfonamide;6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-5-ethyl-N-pyrimidin-4-ylpyridine-3-sulfonamide;(1S,2S,5S)-N,N-dimethyl-2-[[5-(pyrimidin-4-ylmethylsulfonyl)-2-pyridinyl]oxy]-5-[3-(trifluoromethoxy)phenyl]cyclohexan-1-amine;4-[[6-[(1S,2S,4S)-2-piperidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-3-pyridinyl]sulfonylmethyl]pyrimidine
• SMILES: CCc1cc(S(=O)(=O)Nc2ccncn2)cnc1O[C@H]1CC[C@H](c2cccc(C(F)(F)F)c2)C[C@@H]1N(C)C.CN(C)[C@H]1C[C@@H](c2cccc(Cl)c2)CC[C@@H]1Oc1ncc(S(=O)(=O)Cc2ccncn2)cc1Cl.CN(C)[C@H]1C[C@@H](c2cccc(OC(F)(F)F)c2)CC[C@@H]1Oc1ccc(S(=O)(=O)Cc2ccncn2)cn1.Cc1nc(O[C@H]2CC[C@H](c3cccc(OC(F)(F)F)c3)C[C@@H]2N(C)C)ccc1S(=O)(=O)Nc1ccncn1.O=S(=O)(Cc1ccncn1)c1ccc(O[C@H]2CC[C@H](c3cccc(C(F)(F)F)c3)C[C@@H]2N2CCCCC2)nc1
• InChI: InChI=1S/C28H31F3N4O3S.C26H30F3N5O3S.C25H28F3N5O4S.C25H27F3N4O4S.C24H26Cl2N4O3S/c29-28(30,31)22-6-4-5-20(15-22)21-7-9-26(25(16-21)35-13-2-1-3-14-35)38-27-10-8-24(17-33-27)39(36,37)18-23-11-12-32-19-34-23;1-4-17-13-21(38(35,36)33-24-10-11-30-16-32-24)15-31-25(17)37-23-9-8-19(14-22(23)34(2)3)18-6-5-7-20(12-18)26(27,28)29;1-16-22(38(34,35)32-23-11-12-29-15-30-23)9-10-24(31-16)36-21-8-7-18(14-20(21)33(2)3)17-5-4-6-19(13-17)37-25(26,27)28;1-32(2)22-13-18(17-4-3-5-20(12-17)36-25(26,27)28)6-8-23(22)35-24-9-7-21(14-30-24)37(33,34)15-19-10-11-29-16-31-19;1-30(2)22-11-17(16-4-3-5-18(25)10-16)6-7-23(22)33-24-21(26)12-20(13-28-24)34(31,32)14-19-8-9-27-15-29-19/h4-6,8,10-12,15,17,19,21,25-26H,1-3,7,9,13-14,16,18H2;5-7,10-13,15-16,19,22-23H,4,8-9,14H2,1-3H3,(H,30,32,33);4-6,9-13,15,18,20-21H,7-8,14H2,1-3H3,(H,29,30,32);3-5,7,9-12,14,16,18,22-23H,6,8,13,15H2,1-2H3;3-5,8-10,12-13,15,17,22-23H,6-7,11,14H2,1-2H3/t21-,25-,26-;19-,22-,23-;18-,20-,21-;18-,22-,23-;17-,22-,23-/m00000/s1
• InChIKey: QWSKWRMEWDIGQK-BHDXUOBCSA-N
• XLogP: 24.04
• TPSA: 468.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 37
• Rotatable Bonds: 38
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2719.90
LogP ≤ 5	24.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of (1S,2S,5S)-5-(3-chlorophenyl)-2-[[3-chloro-5-(pyrimidin-4-ylmethylsulfonyl)-2-pyridinyl]oxy]-N,N-dimethylcyclohexan-1-amine;6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethoxy)phenyl]cyclohexyl]oxy-2-methyl-N-pyrimidin-4-ylpyridine-3-sulfonamide;6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-5-ethyl-N-pyrimidin-4-ylpyridine-3-sulfonamide;(1S,2S,5S)-N,N-dimethyl-2-[[5-(pyrimidin-4-ylmethylsulfonyl)-2-pyridinyl]oxy]-5-[3-(trifluoromethoxy)phenyl]cyclohexan-1-amine;4-[[6-[(1S,2S,4S)-2-piperidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-3-pyridinyl]sulfonylmethyl]pyrimidine?

The IUPAC name of (1S,2S,5S)-5-(3-chlorophenyl)-2-[[3-chloro-5-(pyrimidin-4-ylmethylsulfonyl)-2-pyridinyl]oxy]-N,N-dimethylcyclohexan-1-amine;6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethoxy)phenyl]cyclohexyl]oxy-2-methyl-N-pyrimidin-4-ylpyridine-3-sulfonamide;6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-5-ethyl-N-pyrimidin-4-ylpyridine-3-sulfonamide;(1S,2S,5S)-N,N-dimethyl-2-[[5-(pyrimidin-4-ylmethylsulfonyl)-2-pyridinyl]oxy]-5-[3-(trifluoromethoxy)phenyl]cyclohexan-1-amine;4-[[6-[(1S,2S,4S)-2-piperidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-3-pyridinyl]sulfonylmethyl]pyrimidine (CID 160540530) is (1S,2S,5S)-5-(3-chlorophenyl)-2-[[3-chloro-5-(pyrimidin-4-ylmethylsulfonyl)-2-pyridinyl]oxy]-N,N-dimethylcyclohexan-1-amine;6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethoxy)phenyl]cyclohexyl]oxy-2-methyl-N-pyrimidin-4-ylpyridine-3-sulfonamide;6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-5-ethyl-N-pyrimidin-4-ylpyridine-3-sulfonamide;(1S,2S,5S)-N,N-dimethyl-2-[[5-(pyrimidin-4-ylmethylsulfonyl)-2-pyridinyl]oxy]-5-[3-(trifluoromethoxy)phenyl]cyclohexan-1-amine;4-[[6-[(1S,2S,4S)-2-piperidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-3-pyridinyl]sulfonylmethyl]pyrimidine.

What is the SMILES notation for (1S,2S,5S)-5-(3-chlorophenyl)-2-[[3-chloro-5-(pyrimidin-4-ylmethylsulfonyl)-2-pyridinyl]oxy]-N,N-dimethylcyclohexan-1-amine;6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethoxy)phenyl]cyclohexyl]oxy-2-methyl-N-pyrimidin-4-ylpyridine-3-sulfonamide;6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-5-ethyl-N-pyrimidin-4-ylpyridine-3-sulfonamide;(1S,2S,5S)-N,N-dimethyl-2-[[5-(pyrimidin-4-ylmethylsulfonyl)-2-pyridinyl]oxy]-5-[3-(trifluoromethoxy)phenyl]cyclohexan-1-amine;4-[[6-[(1S,2S,4S)-2-piperidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-3-pyridinyl]sulfonylmethyl]pyrimidine?

The canonical SMILES for (1S,2S,5S)-5-(3-chlorophenyl)-2-[[3-chloro-5-(pyrimidin-4-ylmethylsulfonyl)-2-pyridinyl]oxy]-N,N-dimethylcyclohexan-1-amine;6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethoxy)phenyl]cyclohexyl]oxy-2-methyl-N-pyrimidin-4-ylpyridine-3-sulfonamide;6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-5-ethyl-N-pyrimidin-4-ylpyridine-3-sulfonamide;(1S,2S,5S)-N,N-dimethyl-2-[[5-(pyrimidin-4-ylmethylsulfonyl)-2-pyridinyl]oxy]-5-[3-(trifluoromethoxy)phenyl]cyclohexan-1-amine;4-[[6-[(1S,2S,4S)-2-piperidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-3-pyridinyl]sulfonylmethyl]pyrimidine is CCc1cc(S(=O)(=O)Nc2ccncn2)cnc1O[C@H]1CC[C@H](c2cccc(C(F)(F)F)c2)C[C@@H]1N(C)C.CN(C)[C@H]1C[C@@H](c2cccc(Cl)c2)CC[C@@H]1Oc1ncc(S(=O)(=O)Cc2ccncn2)cc1Cl.CN(C)[C@H]1C[C@@H](c2cccc(OC(F)(F)F)c2)CC[C@@H]1Oc1ccc(S(=O)(=O)Cc2ccncn2)cn1.Cc1nc(O[C@H]2CC[C@H](c3cccc(OC(F)(F)F)c3)C[C@@H]2N(C)C)ccc1S(=O)(=O)Nc1ccncn1.O=S(=O)(Cc1ccncn1)c1ccc(O[C@H]2CC[C@H](c3cccc(C(F)(F)F)c3)C[C@@H]2N2CCCCC2)nc1.

What is the InChIKey of (1S,2S,5S)-5-(3-chlorophenyl)-2-[[3-chloro-5-(pyrimidin-4-ylmethylsulfonyl)-2-pyridinyl]oxy]-N,N-dimethylcyclohexan-1-amine;6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethoxy)phenyl]cyclohexyl]oxy-2-methyl-N-pyrimidin-4-ylpyridine-3-sulfonamide;6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-5-ethyl-N-pyrimidin-4-ylpyridine-3-sulfonamide;(1S,2S,5S)-N,N-dimethyl-2-[[5-(pyrimidin-4-ylmethylsulfonyl)-2-pyridinyl]oxy]-5-[3-(trifluoromethoxy)phenyl]cyclohexan-1-amine;4-[[6-[(1S,2S,4S)-2-piperidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-3-pyridinyl]sulfonylmethyl]pyrimidine?

The InChIKey is QWSKWRMEWDIGQK-BHDXUOBCSA-N. The full InChI is InChI=1S/C28H31F3N4O3S.C26H30F3N5O3S.C25H28F3N5O4S.C25H27F3N4O4S.C24H26Cl2N4O3S/c29-28(30,31)22-6-4-5-20(15-22)21-7-9-26(25(16-21)35-13-2-1-3-14-35)38-27-10-8-24(17-33-27)39(36,37)18-23-11-12-32-19-34-23;1-4-17-13-21(38(35,36)33-24-10-11-30-16-32-24)15-31-25(17)37-23-9-8-19(14-22(23)34(2)3)18-6-5-7-20(12-18)26(27,28)29;1-16-22(38(34,35)32-23-11-12-29-15-30-23)9-10-24(31-16)36-21-8-7-18(14-20(21)33(2)3)17-5-4-6-19(13-17)37-25(26,27)28;1-32(2)22-13-18(17-4-3-5-20(12-17)36-25(26,27)28)6-8-23(22)35-24-9-7-21(14-30-24)37(33,34)15-19-10-11-29-16-31-19;1-30(2)22-11-17(16-4-3-5-18(25)10-16)6-7-23(22)33-24-21(26)12-20(13-28-24)34(31,32)14-19-8-9-27-15-29-19/h4-6,8,10-12,15,17,19,21,25-26H,1-3,7,9,13-14,16,18H2;5-7,10-13,15-16,19,22-23H,4,8-9,14H2,1-3H3,(H,30,32,33);4-6,9-13,15,18,20-21H,7-8,14H2,1-3H3,(H,29,30,32);3-5,7,9-12,14,16,18,22-23H,6,8,13,15H2,1-2H3;3-5,8-10,12-13,15,17,22-23H,6-7,11,14H2,1-2H3/t21-,25-,26-;19-,22-,23-;18-,20-,21-;18-,22-,23-;17-,22-,23-/m00000/s1.

What are the key properties of (1S,2S,5S)-5-(3-chlorophenyl)-2-[[3-chloro-5-(pyrimidin-4-ylmethylsulfonyl)-2-pyridinyl]oxy]-N,N-dimethylcyclohexan-1-amine;6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethoxy)phenyl]cyclohexyl]oxy-2-methyl-N-pyrimidin-4-ylpyridine-3-sulfonamide;6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-5-ethyl-N-pyrimidin-4-ylpyridine-3-sulfonamide;(1S,2S,5S)-N,N-dimethyl-2-[[5-(pyrimidin-4-ylmethylsulfonyl)-2-pyridinyl]oxy]-5-[3-(trifluoromethoxy)phenyl]cyclohexan-1-amine;4-[[6-[(1S,2S,4S)-2-piperidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-3-pyridinyl]sulfonylmethyl]pyrimidine?

(1S,2S,5S)-5-(3-chlorophenyl)-2-[[3-chloro-5-(pyrimidin-4-ylmethylsulfonyl)-2-pyridinyl]oxy]-N,N-dimethylcyclohexan-1-amine;6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethoxy)phenyl]cyclohexyl]oxy-2-methyl-N-pyrimidin-4-ylpyridine-3-sulfonamide;6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-5-ethyl-N-pyrimidin-4-ylpyridine-3-sulfonamide;(1S,2S,5S)-N,N-dimethyl-2-[[5-(pyrimidin-4-ylmethylsulfonyl)-2-pyridinyl]oxy]-5-[3-(trifluoromethoxy)phenyl]cyclohexan-1-amine;4-[[6-[(1S,2S,4S)-2-piperidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-3-pyridinyl]sulfonylmethyl]pyrimidine has a molecular weight of 2719.90 g/mol, XLogP of 24.04, 38 rotatable bonds, 2 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,2S,5S)-5-(3-chlorophenyl)-2-[[3-chloro-5-(pyrimidin-4-ylmethylsulfonyl)-2-pyridinyl]oxy]-N,N-dimethylcyclohexan-1-amine;6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethoxy)phenyl]cyclohexyl]oxy-2-methyl-N-pyrimidin-4-ylpyridine-3-sulfonamide;6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-5-ethyl-N-pyrimidin-4-ylpyridine-3-sulfonamide;(1S,2S,5S)-N,N-dimethyl-2-[[5-(pyrimidin-4-ylmethylsulfonyl)-2-pyridinyl]oxy]-5-[3-(trifluoromethoxy)phenyl]cyclohexan-1-amine;4-[[6-[(1S,2S,4S)-2-piperidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-3-pyridinyl]sulfonylmethyl]pyrimidine is sourced from PubChem (CID 160540530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).