(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-5-(2,5-dichlorophenyl)-N,N-dimethylcyclohexan-1-amine;(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-N-methyl-5-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine;2-[[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-methylamino]ethanol;4-[[5-chloro-2-fluoro-4-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethoxy)phenyl]cyclohexyl]oxyphenyl]sulfonylmethyl]pyrimidine

C105H105Cl6F13N12O14S4 — CID 163877858

IUPAC(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-5-(2,5-dichlorophenyl)-N,N-dimethylcyclohexan-1-amine;(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-N-methyl-5-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine;2-[[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-methylamino]ethanol;4-[[5-chloro-2-fluoro-4-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethoxy)phenyl]cyclohexyl]oxyphenyl]sulfonylmethyl]pyrimidine
SMILESCN(C)[C@H]1C[C@@H](c2cc(Cl)ccc2Cl)CC[C@@H]1Oc1cc(F)c(S(=O)(=O)Cc2ccncn2)cc1Cl.CN(CCO)[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1Oc1cc(F)c(S(=O)(=O)Cc2ccncn2)cc1Cl.CN[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1Oc1cc(F)c(S(=O)(=O)Cc2ccncn2)cc1Cl.O=S(=O)(Cc1ccncn1)c1cc(Cl)c(O[C@H]2CC[C@H](c3cccc(OC(F)(F)F)c3)C[C@@H]2N2CCCC2)cc1F
InChIInChI=1S/C28H28ClF4N3O4S.C27H28ClF4N3O4S.C25H25Cl3FN3O3S.C25H24ClF4N3O3S/c29-22-14-27(41(37,38)16-20-8-9-34-17-35-20)23(30)15-26(22)39-25-7-6-19(13-24(25)36-10-1-2-11-36)18-4-3-5-21(12-18)40-28(31,32)33;1-35(9-10-36)23-12-18(17-3-2-4-19(11-17)27(30,31)32)5-6-24(23)39-25-14-22(29)26(13-21(25)28)40(37,38)15-20-7-8-33-16-34-20;1-32(2)22-9-15(18-10-16(26)4-5-19(18)27)3-6-23(22)35-24-12-21(29)25(11-20(24)28)36(33,34)13-17-7-8-30-14-31-17;1-31-21-10-16(15-3-2-4-17(9-15)25(28,29)30)5-6-22(21)36-23-12-20(27)24(11-19(23)26)37(34,35)13-18-7-8-32-14-33-18/h3-5,8-9,12,14-15,17,19,24-25H,1-2,6-7,10-11,13,16H2;2-4,7-8,11,13-14,16,18,23-24,36H,5-6,9-10,12,15H2,1H3;4-5,7-8,10-12,14-15,22-23H,3,6,9,13H2,1-2H3;2-4,7-9,11-12,14,16,21-22,31H,5-6,10,13H2,1H3/t19-,24-,25-;18-,23-,24-;15-,22-,23-;16-,21-,22-/m0000/s1
InChIKeyPQMSNHYZVKYODQ-KILIZXDGSA-N
MW2347.02 g/mol
LogP23.35
Rot. Bonds31

About (1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-5-(2,5-dichlorophenyl)-N,N-dimethylcyclohexan-1-amine;(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-N-methyl-5-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine;2-[[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-methylamino]ethanol;4-[[5-chloro-2-fluoro-4-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethoxy)phenyl]cyclohexyl]oxyphenyl]sulfonylmethyl]pyrimidine

(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-5-(2,5-dichlorophenyl)-N,N-dimethylcyclohexan-1-amine;(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-N-methyl-5-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine;2-[[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-methylamino]ethanol;4-[[5-chloro-2-fluoro-4-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethoxy)phenyl]cyclohexyl]oxyphenyl]sulfonylmethyl]pyrimidine (PubChem CID 163877858) has the molecular formula C105H105Cl6F13N12O14S4 and a molecular weight of 2347.02 g/mol. Its IUPAC name is (1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-5-(2,5-dichlorophenyl)-N,N-dimethylcyclohexan-1-amine;(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-N-methyl-5-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine;2-[[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-methylamino]ethanol;4-[[5-chloro-2-fluoro-4-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethoxy)phenyl]cyclohexyl]oxyphenyl]sulfonylmethyl]pyrimidine.

Molecular Properties

Compound Name(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-5-(2,5-dichlorophenyl)-N,N-dimethylcyclohexan-1-amine;(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-N-methyl-5-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine;2-[[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-methylamino]ethanol;4-[[5-chloro-2-fluoro-4-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethoxy)phenyl]cyclohexyl]oxyphenyl]sulfonylmethyl]pyrimidine
PubChem CID163877858
Molecular FormulaC105H105Cl6F13N12O14S4
Molecular Weight2347.02 g/mol
Exact Mass2342.47
IUPAC Name(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-5-(2,5-dichlorophenyl)-N,N-dimethylcyclohexan-1-amine;(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-N-methyl-5-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine;2-[[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-methylamino]ethanol;4-[[5-chloro-2-fluoro-4-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethoxy)phenyl]cyclohexyl]oxyphenyl]sulfonylmethyl]pyrimidine
SMILESCN(C)[C@H]1C[C@@H](c2cc(Cl)ccc2Cl)CC[C@@H]1Oc1cc(F)c(S(=O)(=O)Cc2ccncn2)cc1Cl.CN(CCO)[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1Oc1cc(F)c(S(=O)(=O)Cc2ccncn2)cc1Cl.CN[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1Oc1cc(F)c(S(=O)(=O)Cc2ccncn2)cc1Cl.O=S(=O)(Cc1ccncn1)c1cc(Cl)c(O[C@H]2CC[C@H](c3cccc(OC(F)(F)F)c3)C[C@@H]2N2CCCC2)cc1F
InChIInChI=1S/C28H28ClF4N3O4S.C27H28ClF4N3O4S.C25H25Cl3FN3O3S.C25H24ClF4N3O3S/c29-22-14-27(41(37,38)16-20-8-9-34-17-35-20)23(30)15-26(22)39-25-7-6-19(13-24(25)36-10-1-2-11-36)18-4-3-5-21(12-18)40-28(31,32)33;1-35(9-10-36)23-12-18(17-3-2-4-19(11-17)27(30,31)32)5-6-24(23)39-25-14-22(29)26(13-21(25)28)40(37,38)15-20-7-8-33-16-34-20;1-32(2)22-9-15(18-10-16(26)4-5-19(18)27)3-6-23(22)35-24-12-21(29)25(11-20(24)28)36(33,34)13-17-7-8-30-14-31-17;1-31-21-10-16(15-3-2-4-17(9-15)25(28,29)30)5-6-22(21)36-23-12-20(27)24(11-19(23)26)37(34,35)13-18-7-8-32-14-33-18/h3-5,8-9,12,14-15,17,19,24-25H,1-2,6-7,10-11,13,16H2;2-4,7-8,11,13-14,16,18,23-24,36H,5-6,9-10,12,15H2,1H3;4-5,7-8,10-12,14-15,22-23H,3,6,9,13H2,1-2H3;2-4,7-9,11-12,14,16,21-22,31H,5-6,10,13H2,1H3/t19-,24-,25-;18-,23-,24-;15-,22-,23-;16-,21-,22-/m0000/s1
InChIKeyPQMSNHYZVKYODQ-KILIZXDGSA-N
XLogP23.35
TPSA327.81 Ų
H-Bond Donors2
H-Bond Acceptors26
Rotatable Bonds31
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002347.02
LogP ≤ 523.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1026

Analyze (1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-5-(2,5-dichlorophenyl)-N,N-dimethylcyclohexan-1-amine;(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-N-methyl-5-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine;2-[[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-methylamino]ethanol;4-[[5-chloro-2-fluoro-4-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethoxy)phenyl]cyclohexyl]oxyphenyl]sulfonylmethyl]pyrimidine with MolForge

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Related Compounds

4-[[5-chloro-2-fluoro-4-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethoxy)phenyl]cyclohexyl]oxyphenyl]sulfonylmethyl]pyrimidine;formic acid
CID 159316018
5-chloro-2-fluoro-4-[(1S,2S,4S)-2-[methyl-[2-(methylamino)ethyl]amino]-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylbenzenesulfonamide;formic acid
CID 139433750
(1S,2S,4R)-2-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;(1S,2S,4S)-2-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine
CID 161426541
(1S,2S,4R)-2-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;formic acid
CID 159363255
(1S,2S,4S)-2-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;formic acid
CID 159363256
4-[[6-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-3-pyridinyl]sulfonylmethyl]pyrimidine
CID 159679675
N-pyrimidin-4-yl-6-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethoxy)phenyl]cyclohexyl]oxypyridine-3-sulfonamide
CID 151466376
[(1S,2S,5S)-2-[2-chloro-4-[(2,4-dimethoxyphenyl)methyl-pyrimidin-4-ylsulfamoyl]-5-fluorophenoxy]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-(1-methylazetidin-3-yl)carbamic acid
CID 139433589
tert-butyl N-(azetidin-3-yl)-N-[(1S,2S,5S)-2-[2-chloro-4-[(2,4-dimethoxyphenyl)methyl-pyrimidin-4-ylsulfamoyl]-5-fluorophenoxy]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]carbamate
CID 139433595
(1S,2S,5S)-N,N-dimethyl-2-[[6-methyl-5-(pyrimidin-4-ylmethylsulfonyl)-2-pyridinyl]oxy]-5-[2-methyl-5-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 157413237
[5-(pyrimidin-4-ylsulfamoyl)-2-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-4-pyridinyl] formate
CID 153367507
N-[(5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylsulfamoyl)anilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-2-(dimethylamino)acetamide
CID 139448329

Frequently Asked Questions

What is the IUPAC name of (1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-5-(2,5-dichlorophenyl)-N,N-dimethylcyclohexan-1-amine;(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-N-methyl-5-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine;2-[[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-methylamino]ethanol;4-[[5-chloro-2-fluoro-4-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethoxy)phenyl]cyclohexyl]oxyphenyl]sulfonylmethyl]pyrimidine?
The IUPAC name of (1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-5-(2,5-dichlorophenyl)-N,N-dimethylcyclohexan-1-amine;(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-N-methyl-5-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine;2-[[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-methylamino]ethanol;4-[[5-chloro-2-fluoro-4-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethoxy)phenyl]cyclohexyl]oxyphenyl]sulfonylmethyl]pyrimidine (CID 163877858) is (1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-5-(2,5-dichlorophenyl)-N,N-dimethylcyclohexan-1-amine;(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-N-methyl-5-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine;2-[[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-methylamino]ethanol;4-[[5-chloro-2-fluoro-4-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethoxy)phenyl]cyclohexyl]oxyphenyl]sulfonylmethyl]pyrimidine.
What is the SMILES notation for (1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-5-(2,5-dichlorophenyl)-N,N-dimethylcyclohexan-1-amine;(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-N-methyl-5-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine;2-[[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-methylamino]ethanol;4-[[5-chloro-2-fluoro-4-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethoxy)phenyl]cyclohexyl]oxyphenyl]sulfonylmethyl]pyrimidine?
The canonical SMILES for (1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-5-(2,5-dichlorophenyl)-N,N-dimethylcyclohexan-1-amine;(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-N-methyl-5-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine;2-[[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-methylamino]ethanol;4-[[5-chloro-2-fluoro-4-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethoxy)phenyl]cyclohexyl]oxyphenyl]sulfonylmethyl]pyrimidine is CN(C)[C@H]1C[C@@H](c2cc(Cl)ccc2Cl)CC[C@@H]1Oc1cc(F)c(S(=O)(=O)Cc2ccncn2)cc1Cl.CN(CCO)[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1Oc1cc(F)c(S(=O)(=O)Cc2ccncn2)cc1Cl.CN[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1Oc1cc(F)c(S(=O)(=O)Cc2ccncn2)cc1Cl.O=S(=O)(Cc1ccncn1)c1cc(Cl)c(O[C@H]2CC[C@H](c3cccc(OC(F)(F)F)c3)C[C@@H]2N2CCCC2)cc1F.
What is the InChIKey of (1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-5-(2,5-dichlorophenyl)-N,N-dimethylcyclohexan-1-amine;(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-N-methyl-5-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine;2-[[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-methylamino]ethanol;4-[[5-chloro-2-fluoro-4-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethoxy)phenyl]cyclohexyl]oxyphenyl]sulfonylmethyl]pyrimidine?
The InChIKey is PQMSNHYZVKYODQ-KILIZXDGSA-N. The full InChI is InChI=1S/C28H28ClF4N3O4S.C27H28ClF4N3O4S.C25H25Cl3FN3O3S.C25H24ClF4N3O3S/c29-22-14-27(41(37,38)16-20-8-9-34-17-35-20)23(30)15-26(22)39-25-7-6-19(13-24(25)36-10-1-2-11-36)18-4-3-5-21(12-18)40-28(31,32)33;1-35(9-10-36)23-12-18(17-3-2-4-19(11-17)27(30,31)32)5-6-24(23)39-25-14-22(29)26(13-21(25)28)40(37,38)15-20-7-8-33-16-34-20;1-32(2)22-9-15(18-10-16(26)4-5-19(18)27)3-6-23(22)35-24-12-21(29)25(11-20(24)28)36(33,34)13-17-7-8-30-14-31-17;1-31-21-10-16(15-3-2-4-17(9-15)25(28,29)30)5-6-22(21)36-23-12-20(27)24(11-19(23)26)37(34,35)13-18-7-8-32-14-33-18/h3-5,8-9,12,14-15,17,19,24-25H,1-2,6-7,10-11,13,16H2;2-4,7-8,11,13-14,16,18,23-24,36H,5-6,9-10,12,15H2,1H3;4-5,7-8,10-12,14-15,22-23H,3,6,9,13H2,1-2H3;2-4,7-9,11-12,14,16,21-22,31H,5-6,10,13H2,1H3/t19-,24-,25-;18-,23-,24-;15-,22-,23-;16-,21-,22-/m0000/s1.
What are the key properties of (1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-5-(2,5-dichlorophenyl)-N,N-dimethylcyclohexan-1-amine;(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-N-methyl-5-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine;2-[[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-methylamino]ethanol;4-[[5-chloro-2-fluoro-4-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethoxy)phenyl]cyclohexyl]oxyphenyl]sulfonylmethyl]pyrimidine?
(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-5-(2,5-dichlorophenyl)-N,N-dimethylcyclohexan-1-amine;(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-N-methyl-5-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine;2-[[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-methylamino]ethanol;4-[[5-chloro-2-fluoro-4-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethoxy)phenyl]cyclohexyl]oxyphenyl]sulfonylmethyl]pyrimidine has a molecular weight of 2347.02 g/mol, XLogP of 23.35, 31 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-5-(2,5-dichlorophenyl)-N,N-dimethylcyclohexan-1-amine;(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-N-methyl-5-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine;2-[[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-methylamino]ethanol;4-[[5-chloro-2-fluoro-4-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethoxy)phenyl]cyclohexyl]oxyphenyl]sulfonylmethyl]pyrimidine is sourced from PubChem (CID 163877858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).