5-chloro-4-[[(1S,2S,4S)-4-(3-chloro-5-fluorophenyl)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-[3-(2,2,2-trifluoroethyl)phenyl]cyclohexane-1,2-diamine;N-[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylsulfamoyl)anilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-2-(dimethylamino)acetamide

C102H109Cl5F12N20O9S4 — CID 162093462

IUPAC5-chloro-4-[[(1S,2S,4S)-4-(3-chloro-5-fluorophenyl)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-[3-(2,2,2-trifluoroethyl)phenyl]cyclohexane-1,2-diamine;N-[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylsulfamoyl)anilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)N[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1Cl.CN(C)[C@H]1C[C@@H](c2cc(F)cc(Cl)c2)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1Cl.CN(C)[C@H]1C[C@@H](c2cccc(CC(F)(F)F)c2)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2ccncn2)cc1Cl.CN(C)[C@H]1C[C@@H](c2cccc(F)c2)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1Cl
InChIInChI=1S/C27H29ClF4N6O3S.C27H29ClF4N4O2S.C24H25Cl2F2N5O2S.C24H26ClF2N5O2S/c1-38(2)14-26(39)36-23-11-17(16-4-3-5-18(10-16)27(30,31)32)6-7-21(23)35-22-13-20(29)24(12-19(22)28)42(40,41)37-25-8-9-33-15-34-25;1-36(2)25-11-19(18-5-3-4-17(10-18)14-27(30,31)32)6-7-23(25)35-24-13-22(29)26(12-21(24)28)39(37,38)15-20-8-9-33-16-34-20;1-33(2)22-9-14(15-7-16(25)10-17(27)8-15)3-4-20(22)31-21-12-19(28)23(11-18(21)26)36(34,35)32-24-5-6-29-13-30-24;1-32(2)22-11-16(15-4-3-5-17(26)10-15)6-7-20(22)30-21-13-19(27)23(12-18(21)25)35(33,34)31-24-8-9-28-14-29-24/h3-5,8-10,12-13,15,17,21,23,35H,6-7,11,14H2,1-2H3,(H,36,39)(H,33,34,37);3-5,8-10,12-13,16,19,23,25,35H,6-7,11,14-15H2,1-2H3;5-8,10-14,20,22,31H,3-4,9H2,1-2H3,(H,29,30,32);3-5,8-10,12-14,16,20,22,30H,6-7,11H2,1-2H3,(H,28,29,31)/t17-,21-,23-;19-,23-,25-;14-,20-,22-;16-,20-,22-/m0000/s1
InChIKeyZDXSKCZVEJGCLJ-YFXVIPOVSA-N
MW2292.63 g/mol
LogP21.34
Rot. Bonds31

About 5-chloro-4-[[(1S,2S,4S)-4-(3-chloro-5-fluorophenyl)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-[3-(2,2,2-trifluoroethyl)phenyl]cyclohexane-1,2-diamine;N-[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylsulfamoyl)anilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-2-(dimethylamino)acetamide

5-chloro-4-[[(1S,2S,4S)-4-(3-chloro-5-fluorophenyl)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-[3-(2,2,2-trifluoroethyl)phenyl]cyclohexane-1,2-diamine;N-[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylsulfamoyl)anilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-2-(dimethylamino)acetamide (PubChem CID 162093462) has the molecular formula C102H109Cl5F12N20O9S4 and a molecular weight of 2292.63 g/mol. Its IUPAC name is 5-chloro-4-[[(1S,2S,4S)-4-(3-chloro-5-fluorophenyl)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-[3-(2,2,2-trifluoroethyl)phenyl]cyclohexane-1,2-diamine;N-[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylsulfamoyl)anilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-2-(dimethylamino)acetamide.

Molecular Properties

Compound Name5-chloro-4-[[(1S,2S,4S)-4-(3-chloro-5-fluorophenyl)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-[3-(2,2,2-trifluoroethyl)phenyl]cyclohexane-1,2-diamine;N-[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylsulfamoyl)anilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-2-(dimethylamino)acetamide
PubChem CID162093462
Molecular FormulaC102H109Cl5F12N20O9S4
Molecular Weight2292.63 g/mol
Exact Mass2288.58
IUPAC Name5-chloro-4-[[(1S,2S,4S)-4-(3-chloro-5-fluorophenyl)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-[3-(2,2,2-trifluoroethyl)phenyl]cyclohexane-1,2-diamine;N-[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylsulfamoyl)anilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)N[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1Cl.CN(C)[C@H]1C[C@@H](c2cc(F)cc(Cl)c2)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1Cl.CN(C)[C@H]1C[C@@H](c2cccc(CC(F)(F)F)c2)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2ccncn2)cc1Cl.CN(C)[C@H]1C[C@@H](c2cccc(F)c2)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1Cl
InChIInChI=1S/C27H29ClF4N6O3S.C27H29ClF4N4O2S.C24H25Cl2F2N5O2S.C24H26ClF2N5O2S/c1-38(2)14-26(39)36-23-11-17(16-4-3-5-18(10-16)27(30,31)32)6-7-21(23)35-22-13-20(29)24(12-19(22)28)42(40,41)37-25-8-9-33-15-34-25;1-36(2)25-11-19(18-5-3-4-17(10-18)14-27(30,31)32)6-7-23(25)35-24-13-22(29)26(12-21(24)28)39(37,38)15-20-8-9-33-16-34-20;1-33(2)22-9-14(15-7-16(25)10-17(27)8-15)3-4-20(22)31-21-12-19(28)23(11-18(21)26)36(34,35)32-24-5-6-29-13-30-24;1-32(2)22-11-16(15-4-3-5-17(26)10-15)6-7-20(22)30-21-13-19(27)23(12-18(21)25)35(33,34)31-24-8-9-28-14-29-24/h3-5,8-10,12-13,15,17,21,23,35H,6-7,11,14H2,1-2H3,(H,36,39)(H,33,34,37);3-5,8-10,12-13,16,19,23,25,35H,6-7,11,14-15H2,1-2H3;5-8,10-14,20,22,31H,3-4,9H2,1-2H3,(H,29,30,32);3-5,8-10,12-14,16,20,22,30H,6-7,11H2,1-2H3,(H,28,29,31)/t17-,21-,23-;19-,23-,25-;14-,20-,22-;16-,20-,22-/m0000/s1
InChIKeyZDXSKCZVEJGCLJ-YFXVIPOVSA-N
XLogP21.34
TPSA365.95 Ų
H-Bond Donors8
H-Bond Acceptors25
Rotatable Bonds31
Heavy Atoms152
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002292.63
LogP ≤ 521.34
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1025

Analyze 5-chloro-4-[[(1S,2S,4S)-4-(3-chloro-5-fluorophenyl)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-[3-(2,2,2-trifluoroethyl)phenyl]cyclohexane-1,2-diamine;N-[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylsulfamoyl)anilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-2-(dimethylamino)acetamide with MolForge

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Related Compounds

US11028075, Example 31
CID 139433616
US11028075, Example 29
CID 139433582
US11028075, Example 28
CID 139433775
2-amino-N-[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylsulfamoyl)anilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-N,3-dimethylbutanamide
CID 139433618
N-[(2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylsulfamoyl)anilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-2-(dimethylamino)acetamide
CID 139443943
(2S)-2-amino-N-[(2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylsulfamoyl)anilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-N,3-dimethylbutanamide
CID 139444016
N-[(2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylsulfamoyl)anilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-2-(dimethylamino)-N-methylacetamide
CID 139444112
(2S)-2-amino-N-[(5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylsulfamoyl)anilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-N,3-dimethylbutanamide
CID 139444283
N-[(5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylsulfamoyl)anilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-2-(dimethylamino)acetamide
CID 139448329
2-amino-N-[(5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylsulfamoyl)anilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-N,3-dimethylbutanamide
CID 139448339
N-[(5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylsulfamoyl)anilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-2-(dimethylamino)-N-methylacetamide
CID 139448688
N-[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylsulfamoyl)anilino]-5-(3-methylphenyl)cyclohexyl]-2-(dimethylamino)acetamide
CID 153015210

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[(1S,2S,4S)-4-(3-chloro-5-fluorophenyl)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-[3-(2,2,2-trifluoroethyl)phenyl]cyclohexane-1,2-diamine;N-[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylsulfamoyl)anilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-2-(dimethylamino)acetamide?
The IUPAC name of 5-chloro-4-[[(1S,2S,4S)-4-(3-chloro-5-fluorophenyl)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-[3-(2,2,2-trifluoroethyl)phenyl]cyclohexane-1,2-diamine;N-[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylsulfamoyl)anilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-2-(dimethylamino)acetamide (CID 162093462) is 5-chloro-4-[[(1S,2S,4S)-4-(3-chloro-5-fluorophenyl)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-[3-(2,2,2-trifluoroethyl)phenyl]cyclohexane-1,2-diamine;N-[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylsulfamoyl)anilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-2-(dimethylamino)acetamide.
What is the SMILES notation for 5-chloro-4-[[(1S,2S,4S)-4-(3-chloro-5-fluorophenyl)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-[3-(2,2,2-trifluoroethyl)phenyl]cyclohexane-1,2-diamine;N-[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylsulfamoyl)anilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-2-(dimethylamino)acetamide?
The canonical SMILES for 5-chloro-4-[[(1S,2S,4S)-4-(3-chloro-5-fluorophenyl)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-[3-(2,2,2-trifluoroethyl)phenyl]cyclohexane-1,2-diamine;N-[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylsulfamoyl)anilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-2-(dimethylamino)acetamide is CN(C)CC(=O)N[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1Cl.CN(C)[C@H]1C[C@@H](c2cc(F)cc(Cl)c2)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1Cl.CN(C)[C@H]1C[C@@H](c2cccc(CC(F)(F)F)c2)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2ccncn2)cc1Cl.CN(C)[C@H]1C[C@@H](c2cccc(F)c2)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1Cl.
What is the InChIKey of 5-chloro-4-[[(1S,2S,4S)-4-(3-chloro-5-fluorophenyl)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-[3-(2,2,2-trifluoroethyl)phenyl]cyclohexane-1,2-diamine;N-[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylsulfamoyl)anilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-2-(dimethylamino)acetamide?
The InChIKey is ZDXSKCZVEJGCLJ-YFXVIPOVSA-N. The full InChI is InChI=1S/C27H29ClF4N6O3S.C27H29ClF4N4O2S.C24H25Cl2F2N5O2S.C24H26ClF2N5O2S/c1-38(2)14-26(39)36-23-11-17(16-4-3-5-18(10-16)27(30,31)32)6-7-21(23)35-22-13-20(29)24(12-19(22)28)42(40,41)37-25-8-9-33-15-34-25;1-36(2)25-11-19(18-5-3-4-17(10-18)14-27(30,31)32)6-7-23(25)35-24-13-22(29)26(12-21(24)28)39(37,38)15-20-8-9-33-16-34-20;1-33(2)22-9-14(15-7-16(25)10-17(27)8-15)3-4-20(22)31-21-12-19(28)23(11-18(21)26)36(34,35)32-24-5-6-29-13-30-24;1-32(2)22-11-16(15-4-3-5-17(26)10-15)6-7-20(22)30-21-13-19(27)23(12-18(21)25)35(33,34)31-24-8-9-28-14-29-24/h3-5,8-10,12-13,15,17,21,23,35H,6-7,11,14H2,1-2H3,(H,36,39)(H,33,34,37);3-5,8-10,12-13,16,19,23,25,35H,6-7,11,14-15H2,1-2H3;5-8,10-14,20,22,31H,3-4,9H2,1-2H3,(H,29,30,32);3-5,8-10,12-14,16,20,22,30H,6-7,11H2,1-2H3,(H,28,29,31)/t17-,21-,23-;19-,23-,25-;14-,20-,22-;16-,20-,22-/m0000/s1.
What are the key properties of 5-chloro-4-[[(1S,2S,4S)-4-(3-chloro-5-fluorophenyl)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-[3-(2,2,2-trifluoroethyl)phenyl]cyclohexane-1,2-diamine;N-[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylsulfamoyl)anilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-2-(dimethylamino)acetamide?
5-chloro-4-[[(1S,2S,4S)-4-(3-chloro-5-fluorophenyl)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-[3-(2,2,2-trifluoroethyl)phenyl]cyclohexane-1,2-diamine;N-[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylsulfamoyl)anilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-2-(dimethylamino)acetamide has a molecular weight of 2292.63 g/mol, XLogP of 21.34, 31 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[(1S,2S,4S)-4-(3-chloro-5-fluorophenyl)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-[3-(2,2,2-trifluoroethyl)phenyl]cyclohexane-1,2-diamine;N-[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylsulfamoyl)anilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-2-(dimethylamino)acetamide is sourced from PubChem (CID 162093462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).