5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methyl-2-N-(oxetan-3-yl)cyclohexane-1,2-diamine;trans-(1S,2S)-2-[2-cyclopropyl-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-N-ethylcyclohexan-1-amine;trans-(1S,2S)-2-N-[2-cyclopropyl-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-1-N-ethylcyclohexane-1,2-diamine

C144H178Cl5F15N26O18S10 — CID 158946504

IUPAC5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methyl-2-N-(oxetan-3-yl)cyclohexane-1,2-diamine;trans-(1S,2S)-2-[2-cyclopropyl-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-N-ethylcyclohexan-1-amine;trans-(1S,2S)-2-N-[2-cyclopropyl-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-1-N-ethylcyclohexane-1,2-diamine
SMILESCCN[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2ccncn2)cc1C1CC1.CCN[C@H]1CCCC[C@@H]1Oc1cc(F)c(S(=O)(=O)Cc2ccncn2)cc1C1CC1.CN(C1COC1)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1Cl.CN(C[C@@H](O)C(F)(F)F)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.CN(C[C@H](O)C(F)(F)F)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.O=S(=O)(Nc1cccc(F)n1)c1cc(Cl)c(N[C@@H]2CCCC[C@H]2N2CCCC2)cc1F.O=S(=O)(Nc1cccc(F)n1)c1cc(Cl)c(N[C@H]2CCCC[C@@H]2N2CCCC2)cc1F
InChIInChI=1S/C22H29FN4O2S.C22H28FN3O3S.2C21H25ClF2N4O2S.C20H25ClFN3O3S2.2C19H23ClF4N4O3S2/c1-2-25-19-5-3-4-6-20(19)27-21-12-18(23)22(11-17(21)15-7-8-15)30(28,29)13-16-9-10-24-14-26-16;1-2-25-19-5-3-4-6-20(19)29-21-12-18(23)22(11-17(21)15-7-8-15)30(27,28)13-16-9-10-24-14-26-16;2*22-14-12-19(31(29,30)27-21-9-5-8-20(24)26-21)15(23)13-17(14)25-16-6-1-2-7-18(16)28-10-3-4-11-28;1-25(13-10-28-11-13)18-5-3-2-4-16(18)24-17-9-15(22)19(8-14(17)21)30(26,27)12-20-23-6-7-29-20;2*1-28(10-17(29)19(22,23)24)15-5-3-2-4-13(15)26-14-9-12(21)16(8-11(14)20)33(30,31)27-18-25-6-7-32-18/h9-12,14-15,19-20,25,27H,2-8,13H2,1H3;9-12,14-15,19-20,25H,2-8,13H2,1H3;2*5,8-9,12-13,16,18,25H,1-4,6-7,10-11H2,(H,26,27);6-9,13,16,18,24H,2-5,10-12H2,1H3;2*6-9,13,15,17,26,29H,2-5,10H2,1H3,(H,25,27)/t2*19-,20-;3*16-,18-;13-,15-,17+;13-,15-,17-/m0010000/s1
InChIKeyJKWSLASFOWPUNB-AMSZXFPNSA-N
MW3344.08 g/mol
LogP29.42
Rot. Bonds51

About 5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methyl-2-N-(oxetan-3-yl)cyclohexane-1,2-diamine;trans-(1S,2S)-2-[2-cyclopropyl-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-N-ethylcyclohexan-1-amine;trans-(1S,2S)-2-N-[2-cyclopropyl-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-1-N-ethylcyclohexane-1,2-diamine

5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methyl-2-N-(oxetan-3-yl)cyclohexane-1,2-diamine;trans-(1S,2S)-2-[2-cyclopropyl-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-N-ethylcyclohexan-1-amine;trans-(1S,2S)-2-N-[2-cyclopropyl-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-1-N-ethylcyclohexane-1,2-diamine (PubChem CID 158946504) has the molecular formula C144H178Cl5F15N26O18S10 and a molecular weight of 3344.08 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methyl-2-N-(oxetan-3-yl)cyclohexane-1,2-diamine;trans-(1S,2S)-2-[2-cyclopropyl-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-N-ethylcyclohexan-1-amine;trans-(1S,2S)-2-N-[2-cyclopropyl-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-1-N-ethylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methyl-2-N-(oxetan-3-yl)cyclohexane-1,2-diamine;trans-(1S,2S)-2-[2-cyclopropyl-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-N-ethylcyclohexan-1-amine;trans-(1S,2S)-2-N-[2-cyclopropyl-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-1-N-ethylcyclohexane-1,2-diamine
PubChem CID158946504
Molecular FormulaC144H178Cl5F15N26O18S10
Molecular Weight3344.08 g/mol
Exact Mass3338.92
IUPAC Name5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methyl-2-N-(oxetan-3-yl)cyclohexane-1,2-diamine;trans-(1S,2S)-2-[2-cyclopropyl-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-N-ethylcyclohexan-1-amine;trans-(1S,2S)-2-N-[2-cyclopropyl-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-1-N-ethylcyclohexane-1,2-diamine
SMILESCCN[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2ccncn2)cc1C1CC1.CCN[C@H]1CCCC[C@@H]1Oc1cc(F)c(S(=O)(=O)Cc2ccncn2)cc1C1CC1.CN(C1COC1)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1Cl.CN(C[C@@H](O)C(F)(F)F)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.CN(C[C@H](O)C(F)(F)F)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.O=S(=O)(Nc1cccc(F)n1)c1cc(Cl)c(N[C@@H]2CCCC[C@H]2N2CCCC2)cc1F.O=S(=O)(Nc1cccc(F)n1)c1cc(Cl)c(N[C@H]2CCCC[C@@H]2N2CCCC2)cc1F
InChIInChI=1S/C22H29FN4O2S.C22H28FN3O3S.2C21H25ClF2N4O2S.C20H25ClFN3O3S2.2C19H23ClF4N4O3S2/c1-2-25-19-5-3-4-6-20(19)27-21-12-18(23)22(11-17(21)15-7-8-15)30(28,29)13-16-9-10-24-14-26-16;1-2-25-19-5-3-4-6-20(19)29-21-12-18(23)22(11-17(21)15-7-8-15)30(27,28)13-16-9-10-24-14-26-16;2*22-14-12-19(31(29,30)27-21-9-5-8-20(24)26-21)15(23)13-17(14)25-16-6-1-2-7-18(16)28-10-3-4-11-28;1-25(13-10-28-11-13)18-5-3-2-4-16(18)24-17-9-15(22)19(8-14(17)21)30(26,27)12-20-23-6-7-29-20;2*1-28(10-17(29)19(22,23)24)15-5-3-2-4-13(15)26-14-9-12(21)16(8-11(14)20)33(30,31)27-18-25-6-7-32-18/h9-12,14-15,19-20,25,27H,2-8,13H2,1H3;9-12,14-15,19-20,25H,2-8,13H2,1H3;2*5,8-9,12-13,16,18,25H,1-4,6-7,10-11H2,(H,26,27);6-9,13,16,18,24H,2-5,10-12H2,1H3;2*6-9,13,15,17,26,29H,2-5,10H2,1H3,(H,25,27)/t2*19-,20-;3*16-,18-;13-,15-,17+;13-,15-,17-/m0010000/s1
InChIKeyJKWSLASFOWPUNB-AMSZXFPNSA-N
XLogP29.42
TPSA574.47 Ų
H-Bond Donors14
H-Bond Acceptors43
Rotatable Bonds51
Heavy Atoms218
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003344.08
LogP ≤ 529.42
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1043

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-pyrrolidin-1-ylcyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methyl-2-N-(oxetan-3-yl)cyclohexane-1,2-diamine;trans-(1S,2S)-2-[2-cyclopropyl-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-N-ethylcyclohexan-1-amine;trans-(1S,2S)-2-N-[2-cyclopropyl-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-1-N-ethylcyclohexane-1,2-diamine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methyl-2-N-(oxetan-3-yl)cyclohexane-1,2-diamine;trans-(1S,2S)-2-[2-cyclopropyl-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-N-ethylcyclohexan-1-amine;trans-(1S,2S)-2-N-[2-cyclopropyl-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-1-N-ethylcyclohexane-1,2-diamine?
The IUPAC name of 5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methyl-2-N-(oxetan-3-yl)cyclohexane-1,2-diamine;trans-(1S,2S)-2-[2-cyclopropyl-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-N-ethylcyclohexan-1-amine;trans-(1S,2S)-2-N-[2-cyclopropyl-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-1-N-ethylcyclohexane-1,2-diamine (CID 158946504) is 5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methyl-2-N-(oxetan-3-yl)cyclohexane-1,2-diamine;trans-(1S,2S)-2-[2-cyclopropyl-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-N-ethylcyclohexan-1-amine;trans-(1S,2S)-2-N-[2-cyclopropyl-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-1-N-ethylcyclohexane-1,2-diamine.
What is the SMILES notation for 5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methyl-2-N-(oxetan-3-yl)cyclohexane-1,2-diamine;trans-(1S,2S)-2-[2-cyclopropyl-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-N-ethylcyclohexan-1-amine;trans-(1S,2S)-2-N-[2-cyclopropyl-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-1-N-ethylcyclohexane-1,2-diamine?
The canonical SMILES for 5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methyl-2-N-(oxetan-3-yl)cyclohexane-1,2-diamine;trans-(1S,2S)-2-[2-cyclopropyl-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-N-ethylcyclohexan-1-amine;trans-(1S,2S)-2-N-[2-cyclopropyl-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-1-N-ethylcyclohexane-1,2-diamine is CCN[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2ccncn2)cc1C1CC1.CCN[C@H]1CCCC[C@@H]1Oc1cc(F)c(S(=O)(=O)Cc2ccncn2)cc1C1CC1.CN(C1COC1)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1Cl.CN(C[C@@H](O)C(F)(F)F)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.CN(C[C@H](O)C(F)(F)F)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.O=S(=O)(Nc1cccc(F)n1)c1cc(Cl)c(N[C@@H]2CCCC[C@H]2N2CCCC2)cc1F.O=S(=O)(Nc1cccc(F)n1)c1cc(Cl)c(N[C@H]2CCCC[C@@H]2N2CCCC2)cc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methyl-2-N-(oxetan-3-yl)cyclohexane-1,2-diamine;trans-(1S,2S)-2-[2-cyclopropyl-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-N-ethylcyclohexan-1-amine;trans-(1S,2S)-2-N-[2-cyclopropyl-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-1-N-ethylcyclohexane-1,2-diamine?
The InChIKey is JKWSLASFOWPUNB-AMSZXFPNSA-N. The full InChI is InChI=1S/C22H29FN4O2S.C22H28FN3O3S.2C21H25ClF2N4O2S.C20H25ClFN3O3S2.2C19H23ClF4N4O3S2/c1-2-25-19-5-3-4-6-20(19)27-21-12-18(23)22(11-17(21)15-7-8-15)30(28,29)13-16-9-10-24-14-26-16;1-2-25-19-5-3-4-6-20(19)29-21-12-18(23)22(11-17(21)15-7-8-15)30(27,28)13-16-9-10-24-14-26-16;2*22-14-12-19(31(29,30)27-21-9-5-8-20(24)26-21)15(23)13-17(14)25-16-6-1-2-7-18(16)28-10-3-4-11-28;1-25(13-10-28-11-13)18-5-3-2-4-16(18)24-17-9-15(22)19(8-14(17)21)30(26,27)12-20-23-6-7-29-20;2*1-28(10-17(29)19(22,23)24)15-5-3-2-4-13(15)26-14-9-12(21)16(8-11(14)20)33(30,31)27-18-25-6-7-32-18/h9-12,14-15,19-20,25,27H,2-8,13H2,1H3;9-12,14-15,19-20,25H,2-8,13H2,1H3;2*5,8-9,12-13,16,18,25H,1-4,6-7,10-11H2,(H,26,27);6-9,13,16,18,24H,2-5,10-12H2,1H3;2*6-9,13,15,17,26,29H,2-5,10H2,1H3,(H,25,27)/t2*19-,20-;3*16-,18-;13-,15-,17+;13-,15-,17-/m0010000/s1.
What are the key properties of 5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methyl-2-N-(oxetan-3-yl)cyclohexane-1,2-diamine;trans-(1S,2S)-2-[2-cyclopropyl-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-N-ethylcyclohexan-1-amine;trans-(1S,2S)-2-N-[2-cyclopropyl-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-1-N-ethylcyclohexane-1,2-diamine?
5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methyl-2-N-(oxetan-3-yl)cyclohexane-1,2-diamine;trans-(1S,2S)-2-[2-cyclopropyl-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-N-ethylcyclohexan-1-amine;trans-(1S,2S)-2-N-[2-cyclopropyl-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-1-N-ethylcyclohexane-1,2-diamine has a molecular weight of 3344.08 g/mol, XLogP of 29.42, 51 rotatable bonds, 14 hydrogen bond donors, and 43 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-pyrrolidin-1-ylcyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methyl-2-N-(oxetan-3-yl)cyclohexane-1,2-diamine;trans-(1S,2S)-2-[2-cyclopropyl-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-N-ethylcyclohexan-1-amine;trans-(1S,2S)-2-N-[2-cyclopropyl-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-1-N-ethylcyclohexane-1,2-diamine is sourced from PubChem (CID 158946504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).