5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[2-fluoroethyl(methyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[2-hydroxyethyl(methyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl(propyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)benzenesulfonamide;4-[(1S,2S)-2-(dimethylamino)cyclohexyl]-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzoxazine-7-sulfonamide

C128H167Cl5F10N28O16S14 — CID 162073372

IUPAC5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[2-fluoroethyl(methyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[2-hydroxyethyl(methyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl(propyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)benzenesulfonamide;4-[(1S,2S)-2-(dimethylamino)cyclohexyl]-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
SMILESCCCN(C)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.CN(C)[C@H]1CCCC[C@@H]1N1CCOc2cc(S(=O)(=O)Nc3nccs3)ccc21.CN(C)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1C(F)(F)F.CN(C)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.CN(CCF)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.CN(CCO)[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]2N2CCCC2)cc1F
InChIInChI=1S/C19H24ClFN4O2S2.C19H26ClFN4O2S2.C19H26N4O3S2.C18H23ClF2N4O2S2.C18H24ClFN4O3S2.C18H22F4N4O2S2.C17H22ClFN4O2S2/c20-13-11-18(29(26,27)24-19-22-7-10-28-19)14(21)12-16(13)23-15-5-1-2-6-17(15)25-8-3-4-9-25;1-3-9-25(2)17-7-5-4-6-15(17)23-16-12-14(21)18(11-13(16)20)29(26,27)24-19-22-8-10-28-19;1-22(2)15-5-3-4-6-16(15)23-10-11-26-18-13-14(7-8-17(18)23)28(24,25)21-19-20-9-12-27-19;1-25(8-6-20)16-5-3-2-4-14(16)23-15-11-13(21)17(10-12(15)19)29(26,27)24-18-22-7-9-28-18;1-24(7-8-25)16-5-3-2-4-14(16)22-15-11-13(20)17(10-12(15)19)29(26,27)23-18-21-6-9-28-18;1-26(2)15-6-4-3-5-13(15)24-14-10-12(19)16(9-11(14)18(20,21)22)30(27,28)25-17-23-7-8-29-17;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/h7,10-12,15,17,23H,1-6,8-9H2,(H,22,24);8,10-12,15,17,23H,3-7,9H2,1-2H3,(H,22,24);7-9,12-13,15-16H,3-6,10-11H2,1-2H3,(H,20,21);7,9-11,14,16,23H,2-6,8H2,1H3,(H,22,24);6,9-11,14,16,22,25H,2-5,7-8H2,1H3,(H,21,23);7-10,13,15,24H,3-6H2,1-2H3,(H,23,25);7-10,13,15,21H,3-6H2,1-2H3,(H,20,22)/t2*15-,17-;15-,16-;2*14-,16-;2*13-,15-/m0000000/s1
InChIKeyZBJRHWPFRHSDGG-SMEPYGORSA-N
MW3170.11 g/mol
LogP28.52
Rot. Bonds47

About 5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[2-fluoroethyl(methyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[2-hydroxyethyl(methyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl(propyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)benzenesulfonamide;4-[(1S,2S)-2-(dimethylamino)cyclohexyl]-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzoxazine-7-sulfonamide

5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[2-fluoroethyl(methyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[2-hydroxyethyl(methyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl(propyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)benzenesulfonamide;4-[(1S,2S)-2-(dimethylamino)cyclohexyl]-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzoxazine-7-sulfonamide (PubChem CID 162073372) has the molecular formula C128H167Cl5F10N28O16S14 and a molecular weight of 3170.11 g/mol. Its IUPAC name is 5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[2-fluoroethyl(methyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[2-hydroxyethyl(methyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl(propyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)benzenesulfonamide;4-[(1S,2S)-2-(dimethylamino)cyclohexyl]-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzoxazine-7-sulfonamide.

Molecular Properties

Compound Name5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[2-fluoroethyl(methyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[2-hydroxyethyl(methyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl(propyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)benzenesulfonamide;4-[(1S,2S)-2-(dimethylamino)cyclohexyl]-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
PubChem CID162073372
Molecular FormulaC128H167Cl5F10N28O16S14
Molecular Weight3170.11 g/mol
Exact Mass3164.75
IUPAC Name5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[2-fluoroethyl(methyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[2-hydroxyethyl(methyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl(propyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)benzenesulfonamide;4-[(1S,2S)-2-(dimethylamino)cyclohexyl]-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
SMILESCCCN(C)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.CN(C)[C@H]1CCCC[C@@H]1N1CCOc2cc(S(=O)(=O)Nc3nccs3)ccc21.CN(C)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1C(F)(F)F.CN(C)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.CN(CCF)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.CN(CCO)[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]2N2CCCC2)cc1F
InChIInChI=1S/C19H24ClFN4O2S2.C19H26ClFN4O2S2.C19H26N4O3S2.C18H23ClF2N4O2S2.C18H24ClFN4O3S2.C18H22F4N4O2S2.C17H22ClFN4O2S2/c20-13-11-18(29(26,27)24-19-22-7-10-28-19)14(21)12-16(13)23-15-5-1-2-6-17(15)25-8-3-4-9-25;1-3-9-25(2)17-7-5-4-6-15(17)23-16-12-14(21)18(11-13(16)20)29(26,27)24-19-22-8-10-28-19;1-22(2)15-5-3-4-6-16(15)23-10-11-26-18-13-14(7-8-17(18)23)28(24,25)21-19-20-9-12-27-19;1-25(8-6-20)16-5-3-2-4-14(16)23-15-11-13(21)17(10-12(15)19)29(26,27)24-18-22-7-9-28-18;1-24(7-8-25)16-5-3-2-4-14(16)22-15-11-13(20)17(10-12(15)19)29(26,27)23-18-21-6-9-28-18;1-26(2)15-6-4-3-5-13(15)24-14-10-12(19)16(9-11(14)18(20,21)22)30(27,28)25-17-23-7-8-29-17;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/h7,10-12,15,17,23H,1-6,8-9H2,(H,22,24);8,10-12,15,17,23H,3-7,9H2,1-2H3,(H,22,24);7-9,12-13,15-16H,3-6,10-11H2,1-2H3,(H,20,21);7,9-11,14,16,23H,2-6,8H2,1H3,(H,22,24);6,9-11,14,16,22,25H,2-5,7-8H2,1H3,(H,21,23);7-10,13,15,24H,3-6H2,1-2H3,(H,23,25);7-10,13,15,21H,3-6H2,1-2H3,(H,20,22)/t2*15-,17-;15-,16-;2*14-,16-;2*13-,15-/m0000000/s1
InChIKeyZBJRHWPFRHSDGG-SMEPYGORSA-N
XLogP28.52
TPSA540.98 Ų
H-Bond Donors14
H-Bond Acceptors44
Rotatable Bonds47
Heavy Atoms201
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003170.11
LogP ≤ 528.52
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1044

Analyze 5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[2-fluoroethyl(methyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[2-hydroxyethyl(methyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl(propyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)benzenesulfonamide;4-[(1S,2S)-2-(dimethylamino)cyclohexyl]-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzoxazine-7-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[2-fluoroethyl(methyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[2-hydroxyethyl(methyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl(propyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)benzenesulfonamide;4-[(1S,2S)-2-(dimethylamino)cyclohexyl]-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzoxazine-7-sulfonamide?
The IUPAC name of 5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[2-fluoroethyl(methyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[2-hydroxyethyl(methyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl(propyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)benzenesulfonamide;4-[(1S,2S)-2-(dimethylamino)cyclohexyl]-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzoxazine-7-sulfonamide (CID 162073372) is 5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[2-fluoroethyl(methyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[2-hydroxyethyl(methyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl(propyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)benzenesulfonamide;4-[(1S,2S)-2-(dimethylamino)cyclohexyl]-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzoxazine-7-sulfonamide.
What is the SMILES notation for 5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[2-fluoroethyl(methyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[2-hydroxyethyl(methyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl(propyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)benzenesulfonamide;4-[(1S,2S)-2-(dimethylamino)cyclohexyl]-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzoxazine-7-sulfonamide?
The canonical SMILES for 5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[2-fluoroethyl(methyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[2-hydroxyethyl(methyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl(propyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)benzenesulfonamide;4-[(1S,2S)-2-(dimethylamino)cyclohexyl]-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzoxazine-7-sulfonamide is CCCN(C)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.CN(C)[C@H]1CCCC[C@@H]1N1CCOc2cc(S(=O)(=O)Nc3nccs3)ccc21.CN(C)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1C(F)(F)F.CN(C)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.CN(CCF)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.CN(CCO)[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]2N2CCCC2)cc1F.
What is the InChIKey of 5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[2-fluoroethyl(methyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[2-hydroxyethyl(methyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl(propyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)benzenesulfonamide;4-[(1S,2S)-2-(dimethylamino)cyclohexyl]-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzoxazine-7-sulfonamide?
The InChIKey is ZBJRHWPFRHSDGG-SMEPYGORSA-N. The full InChI is InChI=1S/C19H24ClFN4O2S2.C19H26ClFN4O2S2.C19H26N4O3S2.C18H23ClF2N4O2S2.C18H24ClFN4O3S2.C18H22F4N4O2S2.C17H22ClFN4O2S2/c20-13-11-18(29(26,27)24-19-22-7-10-28-19)14(21)12-16(13)23-15-5-1-2-6-17(15)25-8-3-4-9-25;1-3-9-25(2)17-7-5-4-6-15(17)23-16-12-14(21)18(11-13(16)20)29(26,27)24-19-22-8-10-28-19;1-22(2)15-5-3-4-6-16(15)23-10-11-26-18-13-14(7-8-17(18)23)28(24,25)21-19-20-9-12-27-19;1-25(8-6-20)16-5-3-2-4-14(16)23-15-11-13(21)17(10-12(15)19)29(26,27)24-18-22-7-9-28-18;1-24(7-8-25)16-5-3-2-4-14(16)22-15-11-13(20)17(10-12(15)19)29(26,27)23-18-21-6-9-28-18;1-26(2)15-6-4-3-5-13(15)24-14-10-12(19)16(9-11(14)18(20,21)22)30(27,28)25-17-23-7-8-29-17;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/h7,10-12,15,17,23H,1-6,8-9H2,(H,22,24);8,10-12,15,17,23H,3-7,9H2,1-2H3,(H,22,24);7-9,12-13,15-16H,3-6,10-11H2,1-2H3,(H,20,21);7,9-11,14,16,23H,2-6,8H2,1H3,(H,22,24);6,9-11,14,16,22,25H,2-5,7-8H2,1H3,(H,21,23);7-10,13,15,24H,3-6H2,1-2H3,(H,23,25);7-10,13,15,21H,3-6H2,1-2H3,(H,20,22)/t2*15-,17-;15-,16-;2*14-,16-;2*13-,15-/m0000000/s1.
What are the key properties of 5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[2-fluoroethyl(methyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[2-hydroxyethyl(methyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl(propyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)benzenesulfonamide;4-[(1S,2S)-2-(dimethylamino)cyclohexyl]-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzoxazine-7-sulfonamide?
5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[2-fluoroethyl(methyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[2-hydroxyethyl(methyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl(propyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)benzenesulfonamide;4-[(1S,2S)-2-(dimethylamino)cyclohexyl]-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzoxazine-7-sulfonamide has a molecular weight of 3170.11 g/mol, XLogP of 28.52, 47 rotatable bonds, 14 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[2-fluoroethyl(methyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[2-hydroxyethyl(methyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl(propyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)benzenesulfonamide;4-[(1S,2S)-2-(dimethylamino)cyclohexyl]-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzoxazine-7-sulfonamide is sourced from PubChem (CID 162073372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).