5-chloro-4-[[(1S,2S,4S)-4-(3,5-dichlorophenyl)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)-N-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]aniline;4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-5-hydroxy-N-pyrimidin-4-ylbenzenesulfonamide;4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-5-methoxy-N-pyrimidin-4-ylbenzenesulfonamide

C128H135Cl5F17N23O13S5 — CID 158934642

IUPAC5-chloro-4-[[(1S,2S,4S)-4-(3,5-dichlorophenyl)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)-N-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]aniline;4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-5-hydroxy-N-pyrimidin-4-ylbenzenesulfonamide;4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-5-methoxy-N-pyrimidin-4-ylbenzenesulfonamide
SMILESCN(C)[C@H]1C[C@@H](c2cc(Cl)cc(Cl)c2)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1Cl.CN(C)[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1O.CN(C)[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1Oc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1Cl.COc1cc(S(=O)(=O)Nc2ccncn2)c(F)cc1N[C@H]1CC[C@H](c2cccc(C(F)(F)F)c2)C[C@@H]1N(C)C.O=S(=O)(Cc1ccncn1)c1cc(Cl)c(N[C@H]2CC[C@H](c3cccc(C(F)(F)F)c3)C[C@@H]2N2CCCC2)cc1F
InChIInChI=1S/C28H29ClF4N4O2S.C26H29F4N5O3S.C25H25ClF4N4O3S.C25H27F4N5O3S.C24H25Cl3FN5O2S/c29-22-14-27(40(38,39)16-21-8-9-34-17-35-21)23(30)15-25(22)36-24-7-6-19(13-26(24)37-10-1-2-11-37)18-4-3-5-20(12-18)28(31,32)33;1-35(2)22-12-17(16-5-4-6-18(11-16)26(28,29)30)7-8-20(22)33-21-13-19(27)24(14-23(21)38-3)39(36,37)34-25-9-10-31-15-32-25;1-34(2)20-11-16(15-4-3-5-17(10-15)25(28,29)30)6-7-21(20)37-22-13-19(27)23(12-18(22)26)38(35,36)33-24-8-9-31-14-32-24;1-34(2)21-11-16(15-4-3-5-17(10-15)25(27,28)29)6-7-19(21)32-20-12-18(26)23(13-22(20)35)38(36,37)33-24-8-9-30-14-31-24;1-33(2)22-9-14(15-7-16(25)10-17(26)8-15)3-4-20(22)31-21-12-19(28)23(11-18(21)27)36(34,35)32-24-5-6-29-13-30-24/h3-5,8-9,12,14-15,17,19,24,26,36H,1-2,6-7,10-11,13,16H2;4-6,9-11,13-15,17,20,22,33H,7-8,12H2,1-3H3,(H,31,32,34);3-5,8-10,12-14,16,20-21H,6-7,11H2,1-2H3,(H,31,32,33);3-5,8-10,12-14,16,19,21,32,35H,6-7,11H2,1-2H3,(H,30,31,33);5-8,10-14,20,22,31H,3-4,9H2,1-2H3,(H,29,30,32)/t19-,24-,26-;17-,20-,22-;16-,20-,21-;16-,19-,21-;14-,20-,22-/m00000/s1
InChIKeyJJMNICRWVOKARR-HAUDBVPXSA-N
MW2864.20 g/mol
LogP28.21
Rot. Bonds36

About 5-chloro-4-[[(1S,2S,4S)-4-(3,5-dichlorophenyl)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)-N-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]aniline;4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-5-hydroxy-N-pyrimidin-4-ylbenzenesulfonamide;4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-5-methoxy-N-pyrimidin-4-ylbenzenesulfonamide

5-chloro-4-[[(1S,2S,4S)-4-(3,5-dichlorophenyl)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)-N-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]aniline;4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-5-hydroxy-N-pyrimidin-4-ylbenzenesulfonamide;4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-5-methoxy-N-pyrimidin-4-ylbenzenesulfonamide (PubChem CID 158934642) has the molecular formula C128H135Cl5F17N23O13S5 and a molecular weight of 2864.20 g/mol. Its IUPAC name is 5-chloro-4-[[(1S,2S,4S)-4-(3,5-dichlorophenyl)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)-N-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]aniline;4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-5-hydroxy-N-pyrimidin-4-ylbenzenesulfonamide;4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-5-methoxy-N-pyrimidin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-4-[[(1S,2S,4S)-4-(3,5-dichlorophenyl)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)-N-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]aniline;4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-5-hydroxy-N-pyrimidin-4-ylbenzenesulfonamide;4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-5-methoxy-N-pyrimidin-4-ylbenzenesulfonamide
PubChem CID158934642
Molecular FormulaC128H135Cl5F17N23O13S5
Molecular Weight2864.20 g/mol
Exact Mass2859.74
IUPAC Name5-chloro-4-[[(1S,2S,4S)-4-(3,5-dichlorophenyl)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)-N-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]aniline;4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-5-hydroxy-N-pyrimidin-4-ylbenzenesulfonamide;4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-5-methoxy-N-pyrimidin-4-ylbenzenesulfonamide
SMILESCN(C)[C@H]1C[C@@H](c2cc(Cl)cc(Cl)c2)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1Cl.CN(C)[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1O.CN(C)[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1Oc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1Cl.COc1cc(S(=O)(=O)Nc2ccncn2)c(F)cc1N[C@H]1CC[C@H](c2cccc(C(F)(F)F)c2)C[C@@H]1N(C)C.O=S(=O)(Cc1ccncn1)c1cc(Cl)c(N[C@H]2CC[C@H](c3cccc(C(F)(F)F)c3)C[C@@H]2N2CCCC2)cc1F
InChIInChI=1S/C28H29ClF4N4O2S.C26H29F4N5O3S.C25H25ClF4N4O3S.C25H27F4N5O3S.C24H25Cl3FN5O2S/c29-22-14-27(40(38,39)16-21-8-9-34-17-35-21)23(30)15-25(22)36-24-7-6-19(13-26(24)37-10-1-2-11-37)18-4-3-5-20(12-18)28(31,32)33;1-35(2)22-12-17(16-5-4-6-18(11-16)26(28,29)30)7-8-20(22)33-21-13-19(27)24(14-23(21)38-3)39(36,37)34-25-9-10-31-15-32-25;1-34(2)20-11-16(15-4-3-5-17(10-15)25(28,29)30)6-7-21(20)37-22-13-19(27)23(12-18(22)26)38(35,36)33-24-8-9-31-14-32-24;1-34(2)21-11-16(15-4-3-5-17(10-15)25(27,28)29)6-7-19(21)32-20-12-18(26)23(13-22(20)35)38(36,37)33-24-8-9-30-14-31-24;1-33(2)22-9-14(15-7-16(25)10-17(26)8-15)3-4-20(22)31-21-12-19(28)23(11-18(21)27)36(34,35)32-24-5-6-29-13-30-24/h3-5,8-9,12,14-15,17,19,24,26,36H,1-2,6-7,10-11,13,16H2;4-6,9-11,13-15,17,20,22,33H,7-8,12H2,1-3H3,(H,31,32,34);3-5,8-10,12-14,16,20-21H,6-7,11H2,1-2H3,(H,31,32,33);3-5,8-10,12-14,16,19,21,32,35H,6-7,11H2,1-2H3,(H,30,31,33);5-8,10-14,20,22,31H,3-4,9H2,1-2H3,(H,29,30,32)/t19-,24-,26-;17-,20-,22-;16-,20-,21-;16-,19-,21-;14-,20-,22-/m00000/s1
InChIKeyJJMNICRWVOKARR-HAUDBVPXSA-N
XLogP28.21
TPSA450.73 Ų
H-Bond Donors9
H-Bond Acceptors32
Rotatable Bonds36
Heavy Atoms191
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002864.20
LogP ≤ 528.21
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 5-chloro-4-[[(1S,2S,4S)-4-(3,5-dichlorophenyl)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)-N-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]aniline;4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-5-hydroxy-N-pyrimidin-4-ylbenzenesulfonamide;4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-5-methoxy-N-pyrimidin-4-ylbenzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[(1S,2S,4S)-4-(3,5-dichlorophenyl)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)-N-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]aniline;4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-5-hydroxy-N-pyrimidin-4-ylbenzenesulfonamide;4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-5-methoxy-N-pyrimidin-4-ylbenzenesulfonamide?
The IUPAC name of 5-chloro-4-[[(1S,2S,4S)-4-(3,5-dichlorophenyl)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)-N-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]aniline;4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-5-hydroxy-N-pyrimidin-4-ylbenzenesulfonamide;4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-5-methoxy-N-pyrimidin-4-ylbenzenesulfonamide (CID 158934642) is 5-chloro-4-[[(1S,2S,4S)-4-(3,5-dichlorophenyl)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)-N-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]aniline;4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-5-hydroxy-N-pyrimidin-4-ylbenzenesulfonamide;4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-5-methoxy-N-pyrimidin-4-ylbenzenesulfonamide.
What is the SMILES notation for 5-chloro-4-[[(1S,2S,4S)-4-(3,5-dichlorophenyl)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)-N-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]aniline;4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-5-hydroxy-N-pyrimidin-4-ylbenzenesulfonamide;4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-5-methoxy-N-pyrimidin-4-ylbenzenesulfonamide?
The canonical SMILES for 5-chloro-4-[[(1S,2S,4S)-4-(3,5-dichlorophenyl)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)-N-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]aniline;4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-5-hydroxy-N-pyrimidin-4-ylbenzenesulfonamide;4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-5-methoxy-N-pyrimidin-4-ylbenzenesulfonamide is CN(C)[C@H]1C[C@@H](c2cc(Cl)cc(Cl)c2)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1Cl.CN(C)[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1O.CN(C)[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1Oc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1Cl.COc1cc(S(=O)(=O)Nc2ccncn2)c(F)cc1N[C@H]1CC[C@H](c2cccc(C(F)(F)F)c2)C[C@@H]1N(C)C.O=S(=O)(Cc1ccncn1)c1cc(Cl)c(N[C@H]2CC[C@H](c3cccc(C(F)(F)F)c3)C[C@@H]2N2CCCC2)cc1F.
What is the InChIKey of 5-chloro-4-[[(1S,2S,4S)-4-(3,5-dichlorophenyl)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)-N-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]aniline;4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-5-hydroxy-N-pyrimidin-4-ylbenzenesulfonamide;4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-5-methoxy-N-pyrimidin-4-ylbenzenesulfonamide?
The InChIKey is JJMNICRWVOKARR-HAUDBVPXSA-N. The full InChI is InChI=1S/C28H29ClF4N4O2S.C26H29F4N5O3S.C25H25ClF4N4O3S.C25H27F4N5O3S.C24H25Cl3FN5O2S/c29-22-14-27(40(38,39)16-21-8-9-34-17-35-21)23(30)15-25(22)36-24-7-6-19(13-26(24)37-10-1-2-11-37)18-4-3-5-20(12-18)28(31,32)33;1-35(2)22-12-17(16-5-4-6-18(11-16)26(28,29)30)7-8-20(22)33-21-13-19(27)24(14-23(21)38-3)39(36,37)34-25-9-10-31-15-32-25;1-34(2)20-11-16(15-4-3-5-17(10-15)25(28,29)30)6-7-21(20)37-22-13-19(27)23(12-18(22)26)38(35,36)33-24-8-9-31-14-32-24;1-34(2)21-11-16(15-4-3-5-17(10-15)25(27,28)29)6-7-19(21)32-20-12-18(26)23(13-22(20)35)38(36,37)33-24-8-9-30-14-31-24;1-33(2)22-9-14(15-7-16(25)10-17(26)8-15)3-4-20(22)31-21-12-19(28)23(11-18(21)27)36(34,35)32-24-5-6-29-13-30-24/h3-5,8-9,12,14-15,17,19,24,26,36H,1-2,6-7,10-11,13,16H2;4-6,9-11,13-15,17,20,22,33H,7-8,12H2,1-3H3,(H,31,32,34);3-5,8-10,12-14,16,20-21H,6-7,11H2,1-2H3,(H,31,32,33);3-5,8-10,12-14,16,19,21,32,35H,6-7,11H2,1-2H3,(H,30,31,33);5-8,10-14,20,22,31H,3-4,9H2,1-2H3,(H,29,30,32)/t19-,24-,26-;17-,20-,22-;16-,20-,21-;16-,19-,21-;14-,20-,22-/m00000/s1.
What are the key properties of 5-chloro-4-[[(1S,2S,4S)-4-(3,5-dichlorophenyl)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)-N-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]aniline;4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-5-hydroxy-N-pyrimidin-4-ylbenzenesulfonamide;4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-5-methoxy-N-pyrimidin-4-ylbenzenesulfonamide?
5-chloro-4-[[(1S,2S,4S)-4-(3,5-dichlorophenyl)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)-N-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]aniline;4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-5-hydroxy-N-pyrimidin-4-ylbenzenesulfonamide;4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-5-methoxy-N-pyrimidin-4-ylbenzenesulfonamide has a molecular weight of 2864.20 g/mol, XLogP of 28.21, 36 rotatable bonds, 9 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[(1S,2S,4S)-4-(3,5-dichlorophenyl)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)-N-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]aniline;4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-5-hydroxy-N-pyrimidin-4-ylbenzenesulfonamide;4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-5-methoxy-N-pyrimidin-4-ylbenzenesulfonamide is sourced from PubChem (CID 158934642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).