4-[[(1S,2S)-2-aminocyclohexyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[[(1S,2S)-2-(benzylamino)cyclohexyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[[(1S,2S)-2-[benzyl(ethyl)amino]cyclohexyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(ethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-(methylamino)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;trans-(1S,2S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-N,N-dimethylcyclohexan-1-amine

C130H157Cl7F7N27O15S13 — CID 158943559

IUPAC4-[[(1S,2S)-2-aminocyclohexyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[[(1S,2S)-2-(benzylamino)cyclohexyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[[(1S,2S)-2-[benzyl(ethyl)amino]cyclohexyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(ethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-(methylamino)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;trans-(1S,2S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-N,N-dimethylcyclohexan-1-amine
SMILESCCN(Cc1ccccc1)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.CCN[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.CN(C)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.CN(C)[C@H]1CCCC[C@@H]1Oc1cc(F)c(S(=O)(=O)Cc2ccncn2)cc1Cl.CN[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.N[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.O=S(=O)(Nc1nccs1)c1cc(Cl)c(N[C@H]2CCCC[C@@H]2NCc2ccccc2)cc1F
InChIInChI=1S/C24H28ClFN4O2S2.C22H24ClFN4O2S2.C19H23ClFN3O3S.2C17H22ClFN4O2S2.C16H20ClFN4O2S2.C15H18ClFN4O2S2/c1-2-30(16-17-8-4-3-5-9-17)22-11-7-6-10-20(22)28-21-15-19(26)23(14-18(21)25)34(31,32)29-24-27-12-13-33-24;23-16-12-21(32(29,30)28-22-25-10-11-31-22)17(24)13-20(16)27-19-9-5-4-8-18(19)26-14-15-6-2-1-3-7-15;1-24(2)16-5-3-4-6-17(16)27-18-10-15(21)19(9-14(18)20)28(25,26)11-13-7-8-22-12-23-13;1-23(2)15-6-4-3-5-13(15)21-14-10-12(19)16(9-11(14)18)27(24,25)22-17-20-7-8-26-17;1-2-20-13-5-3-4-6-14(13)22-15-10-12(19)16(9-11(15)18)27(24,25)23-17-21-7-8-26-17;1-19-12-4-2-3-5-13(12)21-14-9-11(18)15(8-10(14)17)26(23,24)22-16-20-6-7-25-16;16-9-7-14(25(22,23)21-15-19-5-6-24-15)10(17)8-13(9)20-12-4-2-1-3-11(12)18/h3-5,8-9,12-15,20,22,28H,2,6-7,10-11,16H2,1H3,(H,27,29);1-3,6-7,10-13,18-19,26-27H,4-5,8-9,14H2,(H,25,28);7-10,12,16-17H,3-6,11H2,1-2H3;7-10,13,15,21H,3-6H2,1-2H3,(H,20,22);7-10,13-14,20,22H,2-6H2,1H3,(H,21,23);6-9,12-13,19,21H,2-5H2,1H3,(H,20,22);5-8,11-12,20H,1-4,18H2,(H,19,21)/t20-,22-;18-,19-;16-,17-;13-,15-;13-,14-;12-,13-;11-,12-/m0000000/s1
InChIKeyJKNZGAWTYHAMMW-IMPHXQDUSA-N
MW3135.89 g/mol
LogP29.91
Rot. Bonds47

About 4-[[(1S,2S)-2-aminocyclohexyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[[(1S,2S)-2-(benzylamino)cyclohexyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[[(1S,2S)-2-[benzyl(ethyl)amino]cyclohexyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(ethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-(methylamino)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;trans-(1S,2S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-N,N-dimethylcyclohexan-1-amine

4-[[(1S,2S)-2-aminocyclohexyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[[(1S,2S)-2-(benzylamino)cyclohexyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[[(1S,2S)-2-[benzyl(ethyl)amino]cyclohexyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(ethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-(methylamino)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;trans-(1S,2S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-N,N-dimethylcyclohexan-1-amine (PubChem CID 158943559) has the molecular formula C130H157Cl7F7N27O15S13 and a molecular weight of 3135.89 g/mol. Its IUPAC name is 4-[[(1S,2S)-2-aminocyclohexyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[[(1S,2S)-2-(benzylamino)cyclohexyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[[(1S,2S)-2-[benzyl(ethyl)amino]cyclohexyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(ethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-(methylamino)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;trans-(1S,2S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[[(1S,2S)-2-aminocyclohexyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[[(1S,2S)-2-(benzylamino)cyclohexyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[[(1S,2S)-2-[benzyl(ethyl)amino]cyclohexyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(ethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-(methylamino)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;trans-(1S,2S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-N,N-dimethylcyclohexan-1-amine
PubChem CID158943559
Molecular FormulaC130H157Cl7F7N27O15S13
Molecular Weight3135.89 g/mol
Exact Mass3129.64
IUPAC Name4-[[(1S,2S)-2-aminocyclohexyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[[(1S,2S)-2-(benzylamino)cyclohexyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[[(1S,2S)-2-[benzyl(ethyl)amino]cyclohexyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(ethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-(methylamino)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;trans-(1S,2S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-N,N-dimethylcyclohexan-1-amine
SMILESCCN(Cc1ccccc1)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.CCN[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.CN(C)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.CN(C)[C@H]1CCCC[C@@H]1Oc1cc(F)c(S(=O)(=O)Cc2ccncn2)cc1Cl.CN[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.N[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.O=S(=O)(Nc1nccs1)c1cc(Cl)c(N[C@H]2CCCC[C@@H]2NCc2ccccc2)cc1F
InChIInChI=1S/C24H28ClFN4O2S2.C22H24ClFN4O2S2.C19H23ClFN3O3S.2C17H22ClFN4O2S2.C16H20ClFN4O2S2.C15H18ClFN4O2S2/c1-2-30(16-17-8-4-3-5-9-17)22-11-7-6-10-20(22)28-21-15-19(26)23(14-18(21)25)34(31,32)29-24-27-12-13-33-24;23-16-12-21(32(29,30)28-22-25-10-11-31-22)17(24)13-20(16)27-19-9-5-4-8-18(19)26-14-15-6-2-1-3-7-15;1-24(2)16-5-3-4-6-17(16)27-18-10-15(21)19(9-14(18)20)28(25,26)11-13-7-8-22-12-23-13;1-23(2)15-6-4-3-5-13(15)21-14-10-12(19)16(9-11(14)18)27(24,25)22-17-20-7-8-26-17;1-2-20-13-5-3-4-6-14(13)22-15-10-12(19)16(9-11(15)18)27(24,25)23-17-21-7-8-26-17;1-19-12-4-2-3-5-13(12)21-14-9-11(18)15(8-10(14)17)26(23,24)22-16-20-6-7-25-16;16-9-7-14(25(22,23)21-15-19-5-6-24-15)10(17)8-13(9)20-12-4-2-1-3-11(12)18/h3-5,8-9,12-15,20,22,28H,2,6-7,10-11,16H2,1H3,(H,27,29);1-3,6-7,10-13,18-19,26-27H,4-5,8-9,14H2,(H,25,28);7-10,12,16-17H,3-6,11H2,1-2H3;7-10,13,15,21H,3-6H2,1-2H3,(H,20,22);7-10,13-14,20,22H,2-6H2,1H3,(H,21,23);6-9,12-13,19,21H,2-5H2,1H3,(H,20,22);5-8,11-12,20H,1-4,18H2,(H,19,21)/t20-,22-;18-,19-;16-,17-;13-,15-;13-,14-;12-,13-;11-,12-/m0000000/s1
InChIKeyJKNZGAWTYHAMMW-IMPHXQDUSA-N
XLogP29.91
TPSA567.52 Ų
H-Bond Donors16
H-Bond Acceptors42
Rotatable Bonds47
Heavy Atoms199
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003135.89
LogP ≤ 529.91
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1042

Analyze 4-[[(1S,2S)-2-aminocyclohexyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[[(1S,2S)-2-(benzylamino)cyclohexyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[[(1S,2S)-2-[benzyl(ethyl)amino]cyclohexyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(ethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-(methylamino)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;trans-(1S,2S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-N,N-dimethylcyclohexan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1S,2S)-2-aminocyclohexyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[[(1S,2S)-2-(benzylamino)cyclohexyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[[(1S,2S)-2-[benzyl(ethyl)amino]cyclohexyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(ethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-(methylamino)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;trans-(1S,2S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 4-[[(1S,2S)-2-aminocyclohexyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[[(1S,2S)-2-(benzylamino)cyclohexyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[[(1S,2S)-2-[benzyl(ethyl)amino]cyclohexyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(ethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-(methylamino)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;trans-(1S,2S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-N,N-dimethylcyclohexan-1-amine (CID 158943559) is 4-[[(1S,2S)-2-aminocyclohexyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[[(1S,2S)-2-(benzylamino)cyclohexyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[[(1S,2S)-2-[benzyl(ethyl)amino]cyclohexyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(ethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-(methylamino)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;trans-(1S,2S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 4-[[(1S,2S)-2-aminocyclohexyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[[(1S,2S)-2-(benzylamino)cyclohexyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[[(1S,2S)-2-[benzyl(ethyl)amino]cyclohexyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(ethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-(methylamino)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;trans-(1S,2S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 4-[[(1S,2S)-2-aminocyclohexyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[[(1S,2S)-2-(benzylamino)cyclohexyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[[(1S,2S)-2-[benzyl(ethyl)amino]cyclohexyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(ethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-(methylamino)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;trans-(1S,2S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-N,N-dimethylcyclohexan-1-amine is CCN(Cc1ccccc1)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.CCN[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.CN(C)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.CN(C)[C@H]1CCCC[C@@H]1Oc1cc(F)c(S(=O)(=O)Cc2ccncn2)cc1Cl.CN[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.N[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.O=S(=O)(Nc1nccs1)c1cc(Cl)c(N[C@H]2CCCC[C@@H]2NCc2ccccc2)cc1F.
What is the InChIKey of 4-[[(1S,2S)-2-aminocyclohexyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[[(1S,2S)-2-(benzylamino)cyclohexyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[[(1S,2S)-2-[benzyl(ethyl)amino]cyclohexyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(ethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-(methylamino)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;trans-(1S,2S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is JKNZGAWTYHAMMW-IMPHXQDUSA-N. The full InChI is InChI=1S/C24H28ClFN4O2S2.C22H24ClFN4O2S2.C19H23ClFN3O3S.2C17H22ClFN4O2S2.C16H20ClFN4O2S2.C15H18ClFN4O2S2/c1-2-30(16-17-8-4-3-5-9-17)22-11-7-6-10-20(22)28-21-15-19(26)23(14-18(21)25)34(31,32)29-24-27-12-13-33-24;23-16-12-21(32(29,30)28-22-25-10-11-31-22)17(24)13-20(16)27-19-9-5-4-8-18(19)26-14-15-6-2-1-3-7-15;1-24(2)16-5-3-4-6-17(16)27-18-10-15(21)19(9-14(18)20)28(25,26)11-13-7-8-22-12-23-13;1-23(2)15-6-4-3-5-13(15)21-14-10-12(19)16(9-11(14)18)27(24,25)22-17-20-7-8-26-17;1-2-20-13-5-3-4-6-14(13)22-15-10-12(19)16(9-11(15)18)27(24,25)23-17-21-7-8-26-17;1-19-12-4-2-3-5-13(12)21-14-9-11(18)15(8-10(14)17)26(23,24)22-16-20-6-7-25-16;16-9-7-14(25(22,23)21-15-19-5-6-24-15)10(17)8-13(9)20-12-4-2-1-3-11(12)18/h3-5,8-9,12-15,20,22,28H,2,6-7,10-11,16H2,1H3,(H,27,29);1-3,6-7,10-13,18-19,26-27H,4-5,8-9,14H2,(H,25,28);7-10,12,16-17H,3-6,11H2,1-2H3;7-10,13,15,21H,3-6H2,1-2H3,(H,20,22);7-10,13-14,20,22H,2-6H2,1H3,(H,21,23);6-9,12-13,19,21H,2-5H2,1H3,(H,20,22);5-8,11-12,20H,1-4,18H2,(H,19,21)/t20-,22-;18-,19-;16-,17-;13-,15-;13-,14-;12-,13-;11-,12-/m0000000/s1.
What are the key properties of 4-[[(1S,2S)-2-aminocyclohexyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[[(1S,2S)-2-(benzylamino)cyclohexyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[[(1S,2S)-2-[benzyl(ethyl)amino]cyclohexyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(ethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-(methylamino)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;trans-(1S,2S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-N,N-dimethylcyclohexan-1-amine?
4-[[(1S,2S)-2-aminocyclohexyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[[(1S,2S)-2-(benzylamino)cyclohexyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[[(1S,2S)-2-[benzyl(ethyl)amino]cyclohexyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(ethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-(methylamino)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;trans-(1S,2S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 3135.89 g/mol, XLogP of 29.91, 47 rotatable bonds, 16 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S,2S)-2-aminocyclohexyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[[(1S,2S)-2-(benzylamino)cyclohexyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[[(1S,2S)-2-[benzyl(ethyl)amino]cyclohexyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(ethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-(methylamino)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;trans-(1S,2S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 158943559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).