5-chloro-2-fluoro-4-[[(1S,2S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[(3R)-3-hydroxypyrrolidin-1-yl]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(1S,2S,4R)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1S,2S,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-cyclopropyl-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine;trans-(1S,2S)-2-[5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)-2-(trifluoromethyl)phenoxy]-N,N-dimethylcyclohexan-1-amine

C117H143Cl4F15N20O15S11 — CID 160732498

IUPAC5-chloro-2-fluoro-4-[[(1S,2S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[(3R)-3-hydroxypyrrolidin-1-yl]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(1S,2S,4R)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1S,2S,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-cyclopropyl-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine;trans-(1S,2S)-2-[5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)-2-(trifluoromethyl)phenoxy]-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2ccncn2)cc1C1CC1.CN(C)[C@H]1CCCC[C@@H]1Oc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1C(F)(F)F.CN(C)[C@H]1CC[C@@H](C(F)(F)F)C[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1Cl.CN(C)[C@H]1C[C@H](C(F)(F)F)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1Cl.O=S(=O)(Nc1nccs1)c1cc(Cl)c(N[C@H]2CCCC[C@@H]2N2CC[C@@H](O)C2)cc1F.O=S(=O)(Nc1nccs1)c1cc(Cl)c(N[C@H]2CCCC[C@@H]2N2CC[C@H](O)C2)cc1F
InChIInChI=1S/C22H29FN4O2S.2C19H22ClF4N3O2S2.2C19H24ClFN4O3S2.C19H22F4N2O3S2/c1-27(2)21-6-4-3-5-19(21)26-20-12-18(23)22(11-17(20)15-7-8-15)30(28,29)13-16-9-10-24-14-25-16;1-27(2)16-4-3-11(19(22,23)24)7-15(16)26-14-9-13(21)17(8-12(14)20)31(28,29)10-18-25-5-6-30-18;1-27(2)16-7-11(19(22,23)24)3-4-14(16)26-15-9-13(21)17(8-12(15)20)31(28,29)10-18-25-5-6-30-18;2*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;1-25(2)14-5-3-4-6-15(14)28-16-10-13(20)17(9-12(16)19(21,22)23)30(26,27)11-18-24-7-8-29-18/h9-12,14-15,19,21,26H,3-8,13H2,1-2H3;5-6,8-9,11,15-16,26H,3-4,7,10H2,1-2H3;5-6,8-9,11,14,16,26H,3-4,7,10H2,1-2H3;2*6,8-10,12,15,17,23,26H,1-5,7,11H2,(H,22,24);7-10,14-15H,3-6,11H2,1-2H3/t19-,21-;11-,15+,16+;11-,14+,16+;12-,15+,17+;12-,15-,17-;14-,15-/m011100/s1
InChIKeyRUNJUTLUOSTIIP-YYWIXXOZSA-N
MW2849.07 g/mol
LogP25.30
Rot. Bonds37

About 5-chloro-2-fluoro-4-[[(1S,2S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[(3R)-3-hydroxypyrrolidin-1-yl]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(1S,2S,4R)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1S,2S,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-cyclopropyl-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine;trans-(1S,2S)-2-[5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)-2-(trifluoromethyl)phenoxy]-N,N-dimethylcyclohexan-1-amine

5-chloro-2-fluoro-4-[[(1S,2S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[(3R)-3-hydroxypyrrolidin-1-yl]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(1S,2S,4R)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1S,2S,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-cyclopropyl-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine;trans-(1S,2S)-2-[5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)-2-(trifluoromethyl)phenoxy]-N,N-dimethylcyclohexan-1-amine (PubChem CID 160732498) has the molecular formula C117H143Cl4F15N20O15S11 and a molecular weight of 2849.07 g/mol. Its IUPAC name is 5-chloro-2-fluoro-4-[[(1S,2S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[(3R)-3-hydroxypyrrolidin-1-yl]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(1S,2S,4R)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1S,2S,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-cyclopropyl-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine;trans-(1S,2S)-2-[5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)-2-(trifluoromethyl)phenoxy]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name5-chloro-2-fluoro-4-[[(1S,2S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[(3R)-3-hydroxypyrrolidin-1-yl]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(1S,2S,4R)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1S,2S,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-cyclopropyl-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine;trans-(1S,2S)-2-[5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)-2-(trifluoromethyl)phenoxy]-N,N-dimethylcyclohexan-1-amine
PubChem CID160732498
Molecular FormulaC117H143Cl4F15N20O15S11
Molecular Weight2849.07 g/mol
Exact Mass2844.65
IUPAC Name5-chloro-2-fluoro-4-[[(1S,2S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[(3R)-3-hydroxypyrrolidin-1-yl]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(1S,2S,4R)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1S,2S,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-cyclopropyl-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine;trans-(1S,2S)-2-[5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)-2-(trifluoromethyl)phenoxy]-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2ccncn2)cc1C1CC1.CN(C)[C@H]1CCCC[C@@H]1Oc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1C(F)(F)F.CN(C)[C@H]1CC[C@@H](C(F)(F)F)C[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1Cl.CN(C)[C@H]1C[C@H](C(F)(F)F)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1Cl.O=S(=O)(Nc1nccs1)c1cc(Cl)c(N[C@H]2CCCC[C@@H]2N2CC[C@@H](O)C2)cc1F.O=S(=O)(Nc1nccs1)c1cc(Cl)c(N[C@H]2CCCC[C@@H]2N2CC[C@H](O)C2)cc1F
InChIInChI=1S/C22H29FN4O2S.2C19H22ClF4N3O2S2.2C19H24ClFN4O3S2.C19H22F4N2O3S2/c1-27(2)21-6-4-3-5-19(21)26-20-12-18(23)22(11-17(20)15-7-8-15)30(28,29)13-16-9-10-24-14-25-16;1-27(2)16-4-3-11(19(22,23)24)7-15(16)26-14-9-13(21)17(8-12(14)20)31(28,29)10-18-25-5-6-30-18;1-27(2)16-7-11(19(22,23)24)3-4-14(16)26-15-9-13(21)17(8-12(15)20)31(28,29)10-18-25-5-6-30-18;2*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;1-25(2)14-5-3-4-6-15(14)28-16-10-13(20)17(9-12(16)19(21,22)23)30(26,27)11-18-24-7-8-29-18/h9-12,14-15,19,21,26H,3-8,13H2,1-2H3;5-6,8-9,11,15-16,26H,3-4,7,10H2,1-2H3;5-6,8-9,11,14,16,26H,3-4,7,10H2,1-2H3;2*6,8-10,12,15,17,23,26H,1-5,7,11H2,(H,22,24);7-10,14-15H,3-6,11H2,1-2H3/t19-,21-;11-,15+,16+;11-,14+,16+;12-,15+,17+;12-,15-,17-;14-,15-/m011100/s1
InChIKeyRUNJUTLUOSTIIP-YYWIXXOZSA-N
XLogP25.30
TPSA448.41 Ų
H-Bond Donors9
H-Bond Acceptors38
Rotatable Bonds37
Heavy Atoms182
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002849.07
LogP ≤ 525.30
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1038

Analyze 5-chloro-2-fluoro-4-[[(1S,2S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[(3R)-3-hydroxypyrrolidin-1-yl]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(1S,2S,4R)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1S,2S,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-cyclopropyl-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine;trans-(1S,2S)-2-[5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)-2-(trifluoromethyl)phenoxy]-N,N-dimethylcyclohexan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-4-[[(1S,2S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[(3R)-3-hydroxypyrrolidin-1-yl]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(1S,2S,4R)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1S,2S,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-cyclopropyl-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine;trans-(1S,2S)-2-[5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)-2-(trifluoromethyl)phenoxy]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 5-chloro-2-fluoro-4-[[(1S,2S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[(3R)-3-hydroxypyrrolidin-1-yl]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(1S,2S,4R)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1S,2S,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-cyclopropyl-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine;trans-(1S,2S)-2-[5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)-2-(trifluoromethyl)phenoxy]-N,N-dimethylcyclohexan-1-amine (CID 160732498) is 5-chloro-2-fluoro-4-[[(1S,2S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[(3R)-3-hydroxypyrrolidin-1-yl]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(1S,2S,4R)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1S,2S,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-cyclopropyl-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine;trans-(1S,2S)-2-[5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)-2-(trifluoromethyl)phenoxy]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 5-chloro-2-fluoro-4-[[(1S,2S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[(3R)-3-hydroxypyrrolidin-1-yl]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(1S,2S,4R)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1S,2S,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-cyclopropyl-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine;trans-(1S,2S)-2-[5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)-2-(trifluoromethyl)phenoxy]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 5-chloro-2-fluoro-4-[[(1S,2S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[(3R)-3-hydroxypyrrolidin-1-yl]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(1S,2S,4R)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1S,2S,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-cyclopropyl-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine;trans-(1S,2S)-2-[5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)-2-(trifluoromethyl)phenoxy]-N,N-dimethylcyclohexan-1-amine is CN(C)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2ccncn2)cc1C1CC1.CN(C)[C@H]1CCCC[C@@H]1Oc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1C(F)(F)F.CN(C)[C@H]1CC[C@@H](C(F)(F)F)C[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1Cl.CN(C)[C@H]1C[C@H](C(F)(F)F)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1Cl.O=S(=O)(Nc1nccs1)c1cc(Cl)c(N[C@H]2CCCC[C@@H]2N2CC[C@@H](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-4-[[(1S,2S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[(3R)-3-hydroxypyrrolidin-1-yl]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(1S,2S,4R)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1S,2S,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-cyclopropyl-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine;trans-(1S,2S)-2-[5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)-2-(trifluoromethyl)phenoxy]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is RUNJUTLUOSTIIP-YYWIXXOZSA-N. The full InChI is InChI=1S/C22H29FN4O2S.2C19H22ClF4N3O2S2.2C19H24ClFN4O3S2.C19H22F4N2O3S2/c1-27(2)21-6-4-3-5-19(21)26-20-12-18(23)22(11-17(20)15-7-8-15)30(28,29)13-16-9-10-24-14-25-16;1-27(2)16-4-3-11(19(22,23)24)7-15(16)26-14-9-13(21)17(8-12(14)20)31(28,29)10-18-25-5-6-30-18;1-27(2)16-7-11(19(22,23)24)3-4-14(16)26-15-9-13(21)17(8-12(15)20)31(28,29)10-18-25-5-6-30-18;2*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;1-25(2)14-5-3-4-6-15(14)28-16-10-13(20)17(9-12(16)19(21,22)23)30(26,27)11-18-24-7-8-29-18/h9-12,14-15,19,21,26H,3-8,13H2,1-2H3;5-6,8-9,11,15-16,26H,3-4,7,10H2,1-2H3;5-6,8-9,11,14,16,26H,3-4,7,10H2,1-2H3;2*6,8-10,12,15,17,23,26H,1-5,7,11H2,(H,22,24);7-10,14-15H,3-6,11H2,1-2H3/t19-,21-;11-,15+,16+;11-,14+,16+;12-,15+,17+;12-,15-,17-;14-,15-/m011100/s1.
What are the key properties of 5-chloro-2-fluoro-4-[[(1S,2S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[(3R)-3-hydroxypyrrolidin-1-yl]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(1S,2S,4R)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1S,2S,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-cyclopropyl-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine;trans-(1S,2S)-2-[5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)-2-(trifluoromethyl)phenoxy]-N,N-dimethylcyclohexan-1-amine?
5-chloro-2-fluoro-4-[[(1S,2S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[(3R)-3-hydroxypyrrolidin-1-yl]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(1S,2S,4R)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1S,2S,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-cyclopropyl-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine;trans-(1S,2S)-2-[5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)-2-(trifluoromethyl)phenoxy]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 2849.07 g/mol, XLogP of 25.30, 37 rotatable bonds, 9 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-4-[[(1S,2S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[(3R)-3-hydroxypyrrolidin-1-yl]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(1S,2S,4R)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1S,2S,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-cyclopropyl-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine;trans-(1S,2S)-2-[5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)-2-(trifluoromethyl)phenoxy]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 160732498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).