5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-(3-hydroxypyrrolidin-1-yl)cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl-(1-methylazetidin-3-yl)amino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;trans-(1S,2S)-2-N-(azetidin-3-yl)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methylcyclohexane-1,2-diamine;trans-(1S,2S)-2-N-[2-cyclopropyl-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N-ethylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)-2-(trifluoromethyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine

C122H154Cl4F11N23O14S10 — CID 157350719

IUPAC5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-(3-hydroxypyrrolidin-1-yl)cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl-(1-methylazetidin-3-yl)amino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;trans-(1S,2S)-2-N-(azetidin-3-yl)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methylcyclohexane-1,2-diamine;trans-(1S,2S)-2-N-[2-cyclopropyl-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N-ethylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)-2-(trifluoromethyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine
SMILESCCN[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1C1CC1.CN(C)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1C(F)(F)F.CN(C1CNC1)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1Cl.CN1CC(N(C)[C@H]2CCCC[C@@H]2Nc2cc(F)c(S(=O)(=O)Nc3cccc(F)n3)cc2Cl)C1.O=S(=O)(Nc1cccc(F)n1)c1cc(Cl)c(N[C@H]2CCCC[C@@H]2N2CCC(O)C2)cc1F.O=S(=O)(Nc1nccs1)c1cc(Cl)c(N[C@H]2CCCC[C@@H]2N2CC[C@H](O)C2)cc1F
InChIInChI=1S/C22H28ClF2N5O2S.C21H25ClF2N4O3S.C21H28FN3O2S2.C20H26ClFN4O2S2.C19H24ClFN4O3S2.C19H23F4N3O2S2/c1-29-12-14(13-29)30(2)19-7-4-3-6-17(19)26-18-11-16(24)20(10-15(18)23)33(31,32)28-22-9-5-8-21(25)27-22;22-14-10-19(32(30,31)27-21-7-3-6-20(24)26-21)15(23)11-17(14)25-16-4-1-2-5-18(16)28-9-8-13(29)12-28;1-2-23-17-5-3-4-6-18(17)25-19-12-16(22)20(11-15(19)14-7-8-14)29(26,27)13-21-24-9-10-28-21;1-26(13-10-23-11-13)18-5-3-2-4-16(18)25-17-9-15(22)19(8-14(17)21)30(27,28)12-20-24-6-7-29-20;20-13-9-18(30(27,28)24-19-22-6-8-29-19)14(21)10-16(13)23-15-3-1-2-4-17(15)25-7-5-12(26)11-25;1-26(2)16-6-4-3-5-14(16)25-15-10-13(20)17(9-12(15)19(21,22)23)30(27,28)11-18-24-7-8-29-18/h5,8-11,14,17,19,26H,3-4,6-7,12-13H2,1-2H3,(H,27,28);3,6-7,10-11,13,16,18,25,29H,1-2,4-5,8-9,12H2,(H,26,27);9-12,14,17-18,23,25H,2-8,13H2,1H3;6-9,13,16,18,23,25H,2-5,10-12H2,1H3;6,8-10,12,15,17,23,26H,1-5,7,11H2,(H,22,24);7-10,14,16,25H,3-6,11H2,1-2H3/t17-,19-;13?,16-,18-;17-,18-;16-,18-;12-,15-,17-;14-,16-/m000000/s1
InChIKeyBHMOKMONPGTVMD-MWSMNYEOSA-N
MW2838.18 g/mol
LogP23.47
Rot. Bonds40

About 5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-(3-hydroxypyrrolidin-1-yl)cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl-(1-methylazetidin-3-yl)amino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;trans-(1S,2S)-2-N-(azetidin-3-yl)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methylcyclohexane-1,2-diamine;trans-(1S,2S)-2-N-[2-cyclopropyl-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N-ethylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)-2-(trifluoromethyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine

5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-(3-hydroxypyrrolidin-1-yl)cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl-(1-methylazetidin-3-yl)amino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;trans-(1S,2S)-2-N-(azetidin-3-yl)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methylcyclohexane-1,2-diamine;trans-(1S,2S)-2-N-[2-cyclopropyl-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N-ethylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)-2-(trifluoromethyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine (PubChem CID 157350719) has the molecular formula C122H154Cl4F11N23O14S10 and a molecular weight of 2838.18 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-(3-hydroxypyrrolidin-1-yl)cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl-(1-methylazetidin-3-yl)amino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;trans-(1S,2S)-2-N-(azetidin-3-yl)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methylcyclohexane-1,2-diamine;trans-(1S,2S)-2-N-[2-cyclopropyl-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N-ethylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)-2-(trifluoromethyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-(3-hydroxypyrrolidin-1-yl)cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl-(1-methylazetidin-3-yl)amino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;trans-(1S,2S)-2-N-(azetidin-3-yl)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methylcyclohexane-1,2-diamine;trans-(1S,2S)-2-N-[2-cyclopropyl-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N-ethylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)-2-(trifluoromethyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine
PubChem CID157350719
Molecular FormulaC122H154Cl4F11N23O14S10
Molecular Weight2838.18 g/mol
Exact Mass2833.78
IUPAC Name5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-(3-hydroxypyrrolidin-1-yl)cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl-(1-methylazetidin-3-yl)amino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;trans-(1S,2S)-2-N-(azetidin-3-yl)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methylcyclohexane-1,2-diamine;trans-(1S,2S)-2-N-[2-cyclopropyl-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N-ethylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)-2-(trifluoromethyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine
SMILESCCN[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1C1CC1.CN(C)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1C(F)(F)F.CN(C1CNC1)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1Cl.CN1CC(N(C)[C@H]2CCCC[C@@H]2Nc2cc(F)c(S(=O)(=O)Nc3cccc(F)n3)cc2Cl)C1.O=S(=O)(Nc1cccc(F)n1)c1cc(Cl)c(N[C@H]2CCCC[C@@H]2N2CCC(O)C2)cc1F.O=S(=O)(Nc1nccs1)c1cc(Cl)c(N[C@H]2CCCC[C@@H]2N2CC[C@H](O)C2)cc1F
InChIInChI=1S/C22H28ClF2N5O2S.C21H25ClF2N4O3S.C21H28FN3O2S2.C20H26ClFN4O2S2.C19H24ClFN4O3S2.C19H23F4N3O2S2/c1-29-12-14(13-29)30(2)19-7-4-3-6-17(19)26-18-11-16(24)20(10-15(18)23)33(31,32)28-22-9-5-8-21(25)27-22;22-14-10-19(32(30,31)27-21-7-3-6-20(24)26-21)15(23)11-17(14)25-16-4-1-2-5-18(16)28-9-8-13(29)12-28;1-2-23-17-5-3-4-6-18(17)25-19-12-16(22)20(11-15(19)14-7-8-14)29(26,27)13-21-24-9-10-28-21;1-26(13-10-23-11-13)18-5-3-2-4-16(18)25-17-9-15(22)19(8-14(17)21)30(27,28)12-20-24-6-7-29-20;20-13-9-18(30(27,28)24-19-22-6-8-29-19)14(21)10-16(13)23-15-3-1-2-4-17(15)25-7-5-12(26)11-25;1-26(2)16-6-4-3-5-14(16)25-15-10-13(20)17(9-12(15)19(21,22)23)30(27,28)11-18-24-7-8-29-18/h5,8-11,14,17,19,26H,3-4,6-7,12-13H2,1-2H3,(H,27,28);3,6-7,10-11,13,16,18,25,29H,1-2,4-5,8-9,12H2,(H,26,27);9-12,14,17-18,23,25H,2-8,13H2,1H3;6-9,13,16,18,23,25H,2-5,10-12H2,1H3;6,8-10,12,15,17,23,26H,1-5,7,11H2,(H,22,24);7-10,14,16,25H,3-6,11H2,1-2H3/t17-,19-;13?,16-,18-;17-,18-;16-,18-;12-,15-,17-;14-,16-/m000000/s1
InChIKeyBHMOKMONPGTVMD-MWSMNYEOSA-N
XLogP23.47
TPSA474.41 Ų
H-Bond Donors13
H-Bond Acceptors38
Rotatable Bonds40
Heavy Atoms184
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002838.18
LogP ≤ 523.47
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-(3-hydroxypyrrolidin-1-yl)cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl-(1-methylazetidin-3-yl)amino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;trans-(1S,2S)-2-N-(azetidin-3-yl)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methylcyclohexane-1,2-diamine;trans-(1S,2S)-2-N-[2-cyclopropyl-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N-ethylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)-2-(trifluoromethyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-(3-hydroxypyrrolidin-1-yl)cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl-(1-methylazetidin-3-yl)amino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;trans-(1S,2S)-2-N-(azetidin-3-yl)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methylcyclohexane-1,2-diamine;trans-(1S,2S)-2-N-[2-cyclopropyl-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N-ethylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)-2-(trifluoromethyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine?
The IUPAC name of 5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-(3-hydroxypyrrolidin-1-yl)cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl-(1-methylazetidin-3-yl)amino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;trans-(1S,2S)-2-N-(azetidin-3-yl)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methylcyclohexane-1,2-diamine;trans-(1S,2S)-2-N-[2-cyclopropyl-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N-ethylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)-2-(trifluoromethyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine (CID 157350719) is 5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-(3-hydroxypyrrolidin-1-yl)cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl-(1-methylazetidin-3-yl)amino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;trans-(1S,2S)-2-N-(azetidin-3-yl)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methylcyclohexane-1,2-diamine;trans-(1S,2S)-2-N-[2-cyclopropyl-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N-ethylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)-2-(trifluoromethyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine.
What is the SMILES notation for 5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-(3-hydroxypyrrolidin-1-yl)cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl-(1-methylazetidin-3-yl)amino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;trans-(1S,2S)-2-N-(azetidin-3-yl)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methylcyclohexane-1,2-diamine;trans-(1S,2S)-2-N-[2-cyclopropyl-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N-ethylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)-2-(trifluoromethyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine?
The canonical SMILES for 5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-(3-hydroxypyrrolidin-1-yl)cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl-(1-methylazetidin-3-yl)amino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;trans-(1S,2S)-2-N-(azetidin-3-yl)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methylcyclohexane-1,2-diamine;trans-(1S,2S)-2-N-[2-cyclopropyl-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N-ethylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)-2-(trifluoromethyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine is CCN[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1C1CC1.CN(C)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1C(F)(F)F.CN(C1CNC1)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1Cl.CN1CC(N(C)[C@H]2CCCC[C@@H]2Nc2cc(F)c(S(=O)(=O)Nc3cccc(F)n3)cc2Cl)C1.O=S(=O)(Nc1cccc(F)n1)c1cc(Cl)c(N[C@H]2CCCC[C@@H]2N2CCC(O)C2)cc1F.O=S(=O)(Nc1nccs1)c1cc(Cl)c(N[C@H]2CCCC[C@@H]2N2CC[C@H](O)C2)cc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-(3-hydroxypyrrolidin-1-yl)cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl-(1-methylazetidin-3-yl)amino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;trans-(1S,2S)-2-N-(azetidin-3-yl)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methylcyclohexane-1,2-diamine;trans-(1S,2S)-2-N-[2-cyclopropyl-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N-ethylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)-2-(trifluoromethyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine?
The InChIKey is BHMOKMONPGTVMD-MWSMNYEOSA-N. The full InChI is InChI=1S/C22H28ClF2N5O2S.C21H25ClF2N4O3S.C21H28FN3O2S2.C20H26ClFN4O2S2.C19H24ClFN4O3S2.C19H23F4N3O2S2/c1-29-12-14(13-29)30(2)19-7-4-3-6-17(19)26-18-11-16(24)20(10-15(18)23)33(31,32)28-22-9-5-8-21(25)27-22;22-14-10-19(32(30,31)27-21-7-3-6-20(24)26-21)15(23)11-17(14)25-16-4-1-2-5-18(16)28-9-8-13(29)12-28;1-2-23-17-5-3-4-6-18(17)25-19-12-16(22)20(11-15(19)14-7-8-14)29(26,27)13-21-24-9-10-28-21;1-26(13-10-23-11-13)18-5-3-2-4-16(18)25-17-9-15(22)19(8-14(17)21)30(27,28)12-20-24-6-7-29-20;20-13-9-18(30(27,28)24-19-22-6-8-29-19)14(21)10-16(13)23-15-3-1-2-4-17(15)25-7-5-12(26)11-25;1-26(2)16-6-4-3-5-14(16)25-15-10-13(20)17(9-12(15)19(21,22)23)30(27,28)11-18-24-7-8-29-18/h5,8-11,14,17,19,26H,3-4,6-7,12-13H2,1-2H3,(H,27,28);3,6-7,10-11,13,16,18,25,29H,1-2,4-5,8-9,12H2,(H,26,27);9-12,14,17-18,23,25H,2-8,13H2,1H3;6-9,13,16,18,23,25H,2-5,10-12H2,1H3;6,8-10,12,15,17,23,26H,1-5,7,11H2,(H,22,24);7-10,14,16,25H,3-6,11H2,1-2H3/t17-,19-;13?,16-,18-;17-,18-;16-,18-;12-,15-,17-;14-,16-/m000000/s1.
What are the key properties of 5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-(3-hydroxypyrrolidin-1-yl)cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl-(1-methylazetidin-3-yl)amino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;trans-(1S,2S)-2-N-(azetidin-3-yl)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methylcyclohexane-1,2-diamine;trans-(1S,2S)-2-N-[2-cyclopropyl-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N-ethylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)-2-(trifluoromethyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine?
5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-(3-hydroxypyrrolidin-1-yl)cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl-(1-methylazetidin-3-yl)amino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;trans-(1S,2S)-2-N-(azetidin-3-yl)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methylcyclohexane-1,2-diamine;trans-(1S,2S)-2-N-[2-cyclopropyl-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N-ethylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)-2-(trifluoromethyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine has a molecular weight of 2838.18 g/mol, XLogP of 23.47, 40 rotatable bonds, 13 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-(3-hydroxypyrrolidin-1-yl)cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl-(1-methylazetidin-3-yl)amino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;trans-(1S,2S)-2-N-(azetidin-3-yl)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methylcyclohexane-1,2-diamine;trans-(1S,2S)-2-N-[2-cyclopropyl-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N-ethylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)-2-(trifluoromethyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine is sourced from PubChem (CID 157350719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).