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;N-[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylsulfamoyl)anilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-2-(dimethylamino)-N-methylacetamide

C130H140Cl6F16N26O12S5 — CID 163839894

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;N-[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylsulfamoyl)anilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-2-(dimethylamino)-N-methylacetamide
SMILESCN(C)CC(=O)N(C)[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1Cl.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
InChIInChI=1S/C28H31ClF4N6O3S.C27H29ClF4N6O3S.C27H29ClF4N4O2S.C24H25Cl2F2N5O2S.C24H26ClF2N5O2S/c1-38(2)15-27(40)39(3)24-12-18(17-5-4-6-19(11-17)28(31,32)33)7-8-22(24)36-23-14-21(30)25(13-20(23)29)43(41,42)37-26-9-10-34-16-35-26;1-38(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/h4-6,9-11,13-14,16,18,22,24,36H,7-8,12,15H2,1-3H3,(H,34,35,37);3-5,8-10,12-13,15,17,21,23,35H,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)/t18-,22-,24-;17-,21-,23-;19-,23-,25-;14-,20-,22-;16-,20-,22-/m00000/s1
InChIKeyOLAWJCVXERLOIX-WBZKFXRCSA-N
MW2935.74 g/mol
LogP26.56
Rot. Bonds40

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;N-[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylsulfamoyl)anilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-2-(dimethylamino)-N-methylacetamide

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;N-[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylsulfamoyl)anilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-2-(dimethylamino)-N-methylacetamide (PubChem CID 163839894) has the molecular formula C130H140Cl6F16N26O12S5 and a molecular weight of 2935.74 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;N-[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylsulfamoyl)anilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-2-(dimethylamino)-N-methylacetamide.

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;N-[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylsulfamoyl)anilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-2-(dimethylamino)-N-methylacetamide
PubChem CID163839894
Molecular FormulaC130H140Cl6F16N26O12S5
Molecular Weight2935.74 g/mol
Exact Mass2930.76
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;N-[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylsulfamoyl)anilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-2-(dimethylamino)-N-methylacetamide
SMILESCN(C)CC(=O)N(C)[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1Cl.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
InChIInChI=1S/C28H31ClF4N6O3S.C27H29ClF4N6O3S.C27H29ClF4N4O2S.C24H25Cl2F2N5O2S.C24H26ClF2N5O2S/c1-38(2)15-27(40)39(3)24-12-18(17-5-4-6-19(11-17)28(31,32)33)7-8-22(24)36-23-14-21(30)25(13-20(23)29)43(41,42)37-26-9-10-34-16-35-26;1-38(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/h4-6,9-11,13-14,16,18,22,24,36H,7-8,12,15H2,1-3H3,(H,34,35,37);3-5,8-10,12-13,15,17,21,23,35H,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)/t18-,22-,24-;17-,21-,23-;19-,23-,25-;14-,20-,22-;16-,20-,22-/m00000/s1
InChIKeyOLAWJCVXERLOIX-WBZKFXRCSA-N
XLogP26.56
TPSA473.48 Ų
H-Bond Donors10
H-Bond Acceptors32
Rotatable Bonds40
Heavy Atoms195
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002935.74
LogP ≤ 526.56
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1032

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;N-[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylsulfamoyl)anilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-2-(dimethylamino)-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US11028075, Example 29
CID 139433582
US11028075, Example 28
CID 139433775
N-[(2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylsulfamoyl)anilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-2-(dimethylamino)acetamide
CID 139443943
N-[(2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylsulfamoyl)anilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-2-(dimethylamino)-N-methylacetamide
CID 139444112
N-[(5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylsulfamoyl)anilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-2-(dimethylamino)acetamide
CID 139448329
N-[(5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylsulfamoyl)anilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-2-(dimethylamino)-N-methylacetamide
CID 139448688
[2-Chloro-5-fluoro-4-(pyrimidin-4-ylsulfamoyl)phenyl]-[2-[[2-(dimethylamino)acetyl]amino]-4-[3-(trifluoromethyl)phenyl]cyclohexyl]azanium
CID 157341744
5-chloro-4-[[(1S,2S,4R)-2-(dimethylamino)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1R,2R,4S)-2-(dimethylamino)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;N-[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylsulfamoyl)anilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-N,1-dimethylazetidine-3-carboxamide;(1S,2S,4S)-2-N-cyclobutyl-1-N-[2,5-difluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N-methyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine
CID 157700538
2-[7-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl]-N,N-dimethylethanesulfonamide;7-(3-chloro-2-pyridinyl)-N-[4,4-dimethyl-2-(2-methylsulfonylethyl)-1,3-dihydroisoquinolin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N,N-diethyl-4-[7-[[7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl]butane-1-sulfonamide;2-[4,4-dimethyl-7-[[7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-1,3-dihydroisoquinolin-2-yl]ethanesulfonamide;N-[2-(3-ethylsulfonylpropyl)-4,4-dimethyl-1,3-dihydroisoquinolin-7-yl]-7-(3-methylsulfonyl-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 157870358
5-chloro-4-[[(1S,2S,4S)-4-[3-chloro-5-(trifluoromethyl)phenyl]-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(1-methylpyrazol-4-yl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(2-methylpyrazol-3-yl)phenyl]cyclohexyl]amino]-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
CID 158046862
bis(5-chloro-2-fluoro-4-[[(1S,2S)-2-[(3-fluoro-2-hydroxypropyl)-methylamino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide);5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[3-hydroxypropyl(methyl)amino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1R,2R)-2-piperidin-1-ylcyclohexyl]amino]benzenesulfonamide;(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 158566498
5-chloro-4-[[(1S,2S,4S)-4-(3-chlorophenyl)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-phenylcyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(3S,4S)-3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]piperidin-4-yl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(3R,4R)-3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]piperidin-4-yl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-cyclopropyl-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide
CID 158707976

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;N-[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylsulfamoyl)anilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-2-(dimethylamino)-N-methylacetamide?
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;N-[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylsulfamoyl)anilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-2-(dimethylamino)-N-methylacetamide (CID 163839894) 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;N-[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylsulfamoyl)anilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-2-(dimethylamino)-N-methylacetamide.
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;N-[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylsulfamoyl)anilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-2-(dimethylamino)-N-methylacetamide?
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;N-[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylsulfamoyl)anilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-2-(dimethylamino)-N-methylacetamide is CN(C)CC(=O)N(C)[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1Cl.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;N-[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylsulfamoyl)anilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-2-(dimethylamino)-N-methylacetamide?
The InChIKey is OLAWJCVXERLOIX-WBZKFXRCSA-N. The full InChI is InChI=1S/C28H31ClF4N6O3S.C27H29ClF4N6O3S.C27H29ClF4N4O2S.C24H25Cl2F2N5O2S.C24H26ClF2N5O2S/c1-38(2)15-27(40)39(3)24-12-18(17-5-4-6-19(11-17)28(31,32)33)7-8-22(24)36-23-14-21(30)25(13-20(23)29)43(41,42)37-26-9-10-34-16-35-26;1-38(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/h4-6,9-11,13-14,16,18,22,24,36H,7-8,12,15H2,1-3H3,(H,34,35,37);3-5,8-10,12-13,15,17,21,23,35H,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)/t18-,22-,24-;17-,21-,23-;19-,23-,25-;14-,20-,22-;16-,20-,22-/m00000/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;N-[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylsulfamoyl)anilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-2-(dimethylamino)-N-methylacetamide?
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;N-[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylsulfamoyl)anilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-2-(dimethylamino)-N-methylacetamide has a molecular weight of 2935.74 g/mol, XLogP of 26.56, 40 rotatable bonds, 10 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-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;N-[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylsulfamoyl)anilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-2-(dimethylamino)-N-methylacetamide is sourced from PubChem (CID 163839894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).