4-[[(1S,2S)-2-(3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide;4-[[(1R,2R)-2-(3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl(piperidin-4-yl)amino]cyclohexyl]amino]benzenesulfonamide;2-chloro-5-fluoro-N-[(1S,2S)-2-piperidin-1-ylcyclohexyl]-4-(pyrimidin-4-ylmethylsulfonyl)aniline;trans-(1S,2S)-1-N-[2-cyclopropyl-5-fluoro-4-[(6-fluoro-2-pyridinyl)methylsulfonyl]phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine

C136H169Cl5F11N25O12S6 — CID 158243420

IUPAC4-[[(1S,2S)-2-(3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide;4-[[(1R,2R)-2-(3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl(piperidin-4-yl)amino]cyclohexyl]amino]benzenesulfonamide;2-chloro-5-fluoro-N-[(1S,2S)-2-piperidin-1-ylcyclohexyl]-4-(pyrimidin-4-ylmethylsulfonyl)aniline;trans-(1S,2S)-1-N-[2-cyclopropyl-5-fluoro-4-[(6-fluoro-2-pyridinyl)methylsulfonyl]phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine
SMILESCN(C)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2cccc(F)n2)cc1C1CC1.CN(C1CCNCC1)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2cccc(F)n2)cc1Cl.CN1CCC(N(C)[C@H]2CCCC[C@@H]2Nc2cc(F)c(S(=O)(=O)Nc3cccc(F)n3)cc2Cl)CC1.O=S(=O)(Cc1ccncn1)c1cc(Cl)c(N[C@H]2CCCC[C@@H]2N2CCCCC2)cc1F.O=S(=O)(Nc1cccc(F)n1)c1cc(Cl)c(N[C@@H]2CCCC[C@H]2N2CC3CC3C2)cc1F.O=S(=O)(Nc1cccc(F)n1)c1cc(Cl)c(N[C@H]2CCCC[C@@H]2N2CC3CC3C2)cc1F
InChIInChI=1S/C24H32ClF2N5O2S.C23H30ClF2N5O2S.C23H29F2N3O2S.2C22H25ClF2N4O2S.C22H28ClFN4O2S/c1-31-12-10-16(11-13-31)32(2)21-7-4-3-6-19(21)28-20-15-18(26)22(14-17(20)25)35(33,34)30-24-9-5-8-23(27)29-24;1-31(15-9-11-27-12-10-15)20-6-3-2-5-18(20)28-19-14-17(25)21(13-16(19)24)34(32,33)30-23-8-4-7-22(26)29-23;1-28(2)21-8-4-3-7-19(21)27-20-13-18(24)22(12-17(20)15-10-11-15)31(29,30)14-16-6-5-9-23(25)26-16;2*23-15-9-20(32(30,31)28-22-7-3-6-21(25)27-22)16(24)10-18(15)26-17-4-1-2-5-19(17)29-11-13-8-14(13)12-29;23-17-12-22(31(29,30)14-16-8-9-25-15-26-16)18(24)13-20(17)27-19-6-2-3-7-21(19)28-10-4-1-5-11-28/h5,8-9,14-16,19,21,28H,3-4,6-7,10-13H2,1-2H3,(H,29,30);4,7-8,13-15,18,20,27-28H,2-3,5-6,9-12H2,1H3,(H,29,30);5-6,9,12-13,15,19,21,27H,3-4,7-8,10-11,14H2,1-2H3;2*3,6-7,9-10,13-14,17,19,26H,1-2,4-5,8,11-12H2,(H,27,28);8-9,12-13,15,19,21,27H,1-7,10-11,14H2/t19-,21-;18-,20-;19-,21-;2*13?,14?,17-,19-;19-,21-/m000100/s1
InChIKeyGFVGDNGZODOCSP-RQKMGYSTSA-N
MW2924.66 g/mol
LogP26.71
Rot. Bonds39

About 4-[[(1S,2S)-2-(3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide;4-[[(1R,2R)-2-(3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl(piperidin-4-yl)amino]cyclohexyl]amino]benzenesulfonamide;2-chloro-5-fluoro-N-[(1S,2S)-2-piperidin-1-ylcyclohexyl]-4-(pyrimidin-4-ylmethylsulfonyl)aniline;trans-(1S,2S)-1-N-[2-cyclopropyl-5-fluoro-4-[(6-fluoro-2-pyridinyl)methylsulfonyl]phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine

4-[[(1S,2S)-2-(3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide;4-[[(1R,2R)-2-(3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl(piperidin-4-yl)amino]cyclohexyl]amino]benzenesulfonamide;2-chloro-5-fluoro-N-[(1S,2S)-2-piperidin-1-ylcyclohexyl]-4-(pyrimidin-4-ylmethylsulfonyl)aniline;trans-(1S,2S)-1-N-[2-cyclopropyl-5-fluoro-4-[(6-fluoro-2-pyridinyl)methylsulfonyl]phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine (PubChem CID 158243420) has the molecular formula C136H169Cl5F11N25O12S6 and a molecular weight of 2924.66 g/mol. Its IUPAC name is 4-[[(1S,2S)-2-(3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide;4-[[(1R,2R)-2-(3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl(piperidin-4-yl)amino]cyclohexyl]amino]benzenesulfonamide;2-chloro-5-fluoro-N-[(1S,2S)-2-piperidin-1-ylcyclohexyl]-4-(pyrimidin-4-ylmethylsulfonyl)aniline;trans-(1S,2S)-1-N-[2-cyclopropyl-5-fluoro-4-[(6-fluoro-2-pyridinyl)methylsulfonyl]phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name4-[[(1S,2S)-2-(3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide;4-[[(1R,2R)-2-(3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl(piperidin-4-yl)amino]cyclohexyl]amino]benzenesulfonamide;2-chloro-5-fluoro-N-[(1S,2S)-2-piperidin-1-ylcyclohexyl]-4-(pyrimidin-4-ylmethylsulfonyl)aniline;trans-(1S,2S)-1-N-[2-cyclopropyl-5-fluoro-4-[(6-fluoro-2-pyridinyl)methylsulfonyl]phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine
PubChem CID158243420
Molecular FormulaC136H169Cl5F11N25O12S6
Molecular Weight2924.66 g/mol
Exact Mass2920.00
IUPAC Name4-[[(1S,2S)-2-(3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide;4-[[(1R,2R)-2-(3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl(piperidin-4-yl)amino]cyclohexyl]amino]benzenesulfonamide;2-chloro-5-fluoro-N-[(1S,2S)-2-piperidin-1-ylcyclohexyl]-4-(pyrimidin-4-ylmethylsulfonyl)aniline;trans-(1S,2S)-1-N-[2-cyclopropyl-5-fluoro-4-[(6-fluoro-2-pyridinyl)methylsulfonyl]phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine
SMILESCN(C)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2cccc(F)n2)cc1C1CC1.CN(C1CCNCC1)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2cccc(F)n2)cc1Cl.CN1CCC(N(C)[C@H]2CCCC[C@@H]2Nc2cc(F)c(S(=O)(=O)Nc3cccc(F)n3)cc2Cl)CC1.O=S(=O)(Cc1ccncn1)c1cc(Cl)c(N[C@H]2CCCC[C@@H]2N2CCCCC2)cc1F.O=S(=O)(Nc1cccc(F)n1)c1cc(Cl)c(N[C@@H]2CCCC[C@H]2N2CC3CC3C2)cc1F.O=S(=O)(Nc1cccc(F)n1)c1cc(Cl)c(N[C@H]2CCCC[C@@H]2N2CC3CC3C2)cc1F
InChIInChI=1S/C24H32ClF2N5O2S.C23H30ClF2N5O2S.C23H29F2N3O2S.2C22H25ClF2N4O2S.C22H28ClFN4O2S/c1-31-12-10-16(11-13-31)32(2)21-7-4-3-6-19(21)28-20-15-18(26)22(14-17(20)25)35(33,34)30-24-9-5-8-23(27)29-24;1-31(15-9-11-27-12-10-15)20-6-3-2-5-18(20)28-19-14-17(25)21(13-16(19)24)34(32,33)30-23-8-4-7-22(26)29-23;1-28(2)21-8-4-3-7-19(21)27-20-13-18(24)22(12-17(20)15-10-11-15)31(29,30)14-16-6-5-9-23(25)26-16;2*23-15-9-20(32(30,31)28-22-7-3-6-21(25)27-22)16(24)10-18(15)26-17-4-1-2-5-19(17)29-11-13-8-14(13)12-29;23-17-12-22(31(29,30)14-16-8-9-25-15-26-16)18(24)13-20(17)27-19-6-2-3-7-21(19)28-10-4-1-5-11-28/h5,8-9,14-16,19,21,28H,3-4,6-7,10-13H2,1-2H3,(H,29,30);4,7-8,13-15,18,20,27-28H,2-3,5-6,9-12H2,1H3,(H,29,30);5-6,9,12-13,15,19,21,27H,3-4,7-8,10-11,14H2,1-2H3;2*3,6-7,9-10,13-14,17,19,26H,1-2,4-5,8,11-12H2,(H,27,28);8-9,12-13,15,19,21,27H,1-7,10-11,14H2/t19-,21-;18-,20-;19-,21-;2*13?,14?,17-,19-;19-,21-/m000100/s1
InChIKeyGFVGDNGZODOCSP-RQKMGYSTSA-N
XLogP26.71
TPSA450.08 Ų
H-Bond Donors11
H-Bond Acceptors33
Rotatable Bonds39
Heavy Atoms195
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002924.66
LogP ≤ 526.71
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

Analyze 4-[[(1S,2S)-2-(3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide;4-[[(1R,2R)-2-(3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl(piperidin-4-yl)amino]cyclohexyl]amino]benzenesulfonamide;2-chloro-5-fluoro-N-[(1S,2S)-2-piperidin-1-ylcyclohexyl]-4-(pyrimidin-4-ylmethylsulfonyl)aniline;trans-(1S,2S)-1-N-[2-cyclopropyl-5-fluoro-4-[(6-fluoro-2-pyridinyl)methylsulfonyl]phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-[[(1S,2S)-2-(3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide;4-[[(1R,2R)-2-(3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl(piperidin-4-yl)amino]cyclohexyl]amino]benzenesulfonamide;2-chloro-5-fluoro-N-[(1S,2S)-2-piperidin-1-ylcyclohexyl]-4-(pyrimidin-4-ylmethylsulfonyl)aniline;trans-(1S,2S)-1-N-[2-cyclopropyl-5-fluoro-4-[(6-fluoro-2-pyridinyl)methylsulfonyl]phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine?
The IUPAC name of 4-[[(1S,2S)-2-(3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide;4-[[(1R,2R)-2-(3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl(piperidin-4-yl)amino]cyclohexyl]amino]benzenesulfonamide;2-chloro-5-fluoro-N-[(1S,2S)-2-piperidin-1-ylcyclohexyl]-4-(pyrimidin-4-ylmethylsulfonyl)aniline;trans-(1S,2S)-1-N-[2-cyclopropyl-5-fluoro-4-[(6-fluoro-2-pyridinyl)methylsulfonyl]phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine (CID 158243420) is 4-[[(1S,2S)-2-(3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide;4-[[(1R,2R)-2-(3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl(piperidin-4-yl)amino]cyclohexyl]amino]benzenesulfonamide;2-chloro-5-fluoro-N-[(1S,2S)-2-piperidin-1-ylcyclohexyl]-4-(pyrimidin-4-ylmethylsulfonyl)aniline;trans-(1S,2S)-1-N-[2-cyclopropyl-5-fluoro-4-[(6-fluoro-2-pyridinyl)methylsulfonyl]phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine.
What is the SMILES notation for 4-[[(1S,2S)-2-(3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide;4-[[(1R,2R)-2-(3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl(piperidin-4-yl)amino]cyclohexyl]amino]benzenesulfonamide;2-chloro-5-fluoro-N-[(1S,2S)-2-piperidin-1-ylcyclohexyl]-4-(pyrimidin-4-ylmethylsulfonyl)aniline;trans-(1S,2S)-1-N-[2-cyclopropyl-5-fluoro-4-[(6-fluoro-2-pyridinyl)methylsulfonyl]phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine?
The canonical SMILES for 4-[[(1S,2S)-2-(3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide;4-[[(1R,2R)-2-(3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl(piperidin-4-yl)amino]cyclohexyl]amino]benzenesulfonamide;2-chloro-5-fluoro-N-[(1S,2S)-2-piperidin-1-ylcyclohexyl]-4-(pyrimidin-4-ylmethylsulfonyl)aniline;trans-(1S,2S)-1-N-[2-cyclopropyl-5-fluoro-4-[(6-fluoro-2-pyridinyl)methylsulfonyl]phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine is CN(C)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2cccc(F)n2)cc1C1CC1.CN(C1CCNCC1)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2cccc(F)n2)cc1Cl.CN1CCC(N(C)[C@H]2CCCC[C@@H]2Nc2cc(F)c(S(=O)(=O)Nc3cccc(F)n3)cc2Cl)CC1.O=S(=O)(Cc1ccncn1)c1cc(Cl)c(N[C@H]2CCCC[C@@H]2N2CCCCC2)cc1F.O=S(=O)(Nc1cccc(F)n1)c1cc(Cl)c(N[C@@H]2CCCC[C@H]2N2CC3CC3C2)cc1F.O=S(=O)(Nc1cccc(F)n1)c1cc(Cl)c(N[C@H]2CCCC[C@@H]2N2CC3CC3C2)cc1F.
What is the InChIKey of 4-[[(1S,2S)-2-(3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide;4-[[(1R,2R)-2-(3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl(piperidin-4-yl)amino]cyclohexyl]amino]benzenesulfonamide;2-chloro-5-fluoro-N-[(1S,2S)-2-piperidin-1-ylcyclohexyl]-4-(pyrimidin-4-ylmethylsulfonyl)aniline;trans-(1S,2S)-1-N-[2-cyclopropyl-5-fluoro-4-[(6-fluoro-2-pyridinyl)methylsulfonyl]phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine?
The InChIKey is GFVGDNGZODOCSP-RQKMGYSTSA-N. The full InChI is InChI=1S/C24H32ClF2N5O2S.C23H30ClF2N5O2S.C23H29F2N3O2S.2C22H25ClF2N4O2S.C22H28ClFN4O2S/c1-31-12-10-16(11-13-31)32(2)21-7-4-3-6-19(21)28-20-15-18(26)22(14-17(20)25)35(33,34)30-24-9-5-8-23(27)29-24;1-31(15-9-11-27-12-10-15)20-6-3-2-5-18(20)28-19-14-17(25)21(13-16(19)24)34(32,33)30-23-8-4-7-22(26)29-23;1-28(2)21-8-4-3-7-19(21)27-20-13-18(24)22(12-17(20)15-10-11-15)31(29,30)14-16-6-5-9-23(25)26-16;2*23-15-9-20(32(30,31)28-22-7-3-6-21(25)27-22)16(24)10-18(15)26-17-4-1-2-5-19(17)29-11-13-8-14(13)12-29;23-17-12-22(31(29,30)14-16-8-9-25-15-26-16)18(24)13-20(17)27-19-6-2-3-7-21(19)28-10-4-1-5-11-28/h5,8-9,14-16,19,21,28H,3-4,6-7,10-13H2,1-2H3,(H,29,30);4,7-8,13-15,18,20,27-28H,2-3,5-6,9-12H2,1H3,(H,29,30);5-6,9,12-13,15,19,21,27H,3-4,7-8,10-11,14H2,1-2H3;2*3,6-7,9-10,13-14,17,19,26H,1-2,4-5,8,11-12H2,(H,27,28);8-9,12-13,15,19,21,27H,1-7,10-11,14H2/t19-,21-;18-,20-;19-,21-;2*13?,14?,17-,19-;19-,21-/m000100/s1.
What are the key properties of 4-[[(1S,2S)-2-(3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide;4-[[(1R,2R)-2-(3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl(piperidin-4-yl)amino]cyclohexyl]amino]benzenesulfonamide;2-chloro-5-fluoro-N-[(1S,2S)-2-piperidin-1-ylcyclohexyl]-4-(pyrimidin-4-ylmethylsulfonyl)aniline;trans-(1S,2S)-1-N-[2-cyclopropyl-5-fluoro-4-[(6-fluoro-2-pyridinyl)methylsulfonyl]phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine?
4-[[(1S,2S)-2-(3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide;4-[[(1R,2R)-2-(3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl(piperidin-4-yl)amino]cyclohexyl]amino]benzenesulfonamide;2-chloro-5-fluoro-N-[(1S,2S)-2-piperidin-1-ylcyclohexyl]-4-(pyrimidin-4-ylmethylsulfonyl)aniline;trans-(1S,2S)-1-N-[2-cyclopropyl-5-fluoro-4-[(6-fluoro-2-pyridinyl)methylsulfonyl]phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine has a molecular weight of 2924.66 g/mol, XLogP of 26.71, 39 rotatable bonds, 11 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S,2S)-2-(3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide;4-[[(1R,2R)-2-(3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl(piperidin-4-yl)amino]cyclohexyl]amino]benzenesulfonamide;2-chloro-5-fluoro-N-[(1S,2S)-2-piperidin-1-ylcyclohexyl]-4-(pyrimidin-4-ylmethylsulfonyl)aniline;trans-(1S,2S)-1-N-[2-cyclopropyl-5-fluoro-4-[(6-fluoro-2-pyridinyl)methylsulfonyl]phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine is sourced from PubChem (CID 158243420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).