5-chloro-N-(4-chloro-1,3-thiazol-2-yl)-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluorobenzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1R,2R)-2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(dimethylamino)-4,4-difluorocyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1R,2R)-2-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]cyclohexyl]amino]benzenesulfonamide

C122H141Cl7F14N26O14S8 — CID 161187136

IUPAC5-chloro-N-(4-chloro-1,3-thiazol-2-yl)-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluorobenzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1R,2R)-2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(dimethylamino)-4,4-difluorocyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1R,2R)-2-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]cyclohexyl]amino]benzenesulfonamide
SMILESCN(C)[C@H]1CC(F)(F)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.CN(C)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nc(Cl)cs2)cc1Cl.O=S(=O)(Nc1cccc(F)n1)c1cc(Cl)c(N[C@@H]2CCCC[C@H]2N2C[C@@H]3C(CO)[C@@H]3C2)cc1F.O=S(=O)(Nc1cccc(F)n1)c1cc(Cl)c(N[C@H]2CCCC[C@@H]2N2C[C@@H]3C(CO)[C@@H]3C2)cc1F.O=S(=O)(Nc1ccncn1)c1cc(Cl)c(N[C@@H]2CCCC[C@H]2N2CC3C(C2)C3(F)F)cc1F.O=S(=O)(Nc1ccncn1)c1cc(Cl)c(N[C@H]2CCCC[C@@H]2N2CC3C(C2)C3(F)F)cc1F
InChIInChI=1S/2C23H27ClF2N4O3S.2C21H23ClF3N5O2S.C17H21Cl2FN4O2S2.C17H20ClF3N4O2S2/c2*24-16-8-21(34(32,33)29-23-7-3-6-22(26)28-23)17(25)9-19(16)27-18-4-1-2-5-20(18)30-10-13-14(11-30)15(13)12-31;2*22-14-7-19(33(31,32)29-20-5-6-26-11-27-20)15(23)8-17(14)28-16-3-1-2-4-18(16)30-9-12-13(10-30)21(12,24)25;1-24(2)14-6-4-3-5-12(14)21-13-8-11(20)15(7-10(13)18)28(25,26)23-17-22-16(19)9-27-17;1-25(2)14-9-17(20,21)4-3-12(14)23-13-8-11(19)15(7-10(13)18)29(26,27)24-16-22-5-6-28-16/h2*3,6-9,13-15,18,20,27,31H,1-2,4-5,10-12H2,(H,28,29);2*5-8,11-13,16,18,28H,1-4,9-10H2,(H,26,27,29);7-9,12,14,21H,3-6H2,1-2H3,(H,22,23);5-8,12,14,23H,3-4,9H2,1-2H3,(H,22,24)/t2*13-,14+,15?,18-,20-;2*12?,13?,16-,18-;2*12-,14-/m101000/s1
InChIKeyUTFPHMQRPLTIBX-NXJVNOQISA-N
MW2966.32 g/mol
LogP24.33
Rot. Bonds38

About 5-chloro-N-(4-chloro-1,3-thiazol-2-yl)-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluorobenzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1R,2R)-2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(dimethylamino)-4,4-difluorocyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1R,2R)-2-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]cyclohexyl]amino]benzenesulfonamide

5-chloro-N-(4-chloro-1,3-thiazol-2-yl)-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluorobenzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1R,2R)-2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(dimethylamino)-4,4-difluorocyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1R,2R)-2-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]cyclohexyl]amino]benzenesulfonamide (PubChem CID 161187136) has the molecular formula C122H141Cl7F14N26O14S8 and a molecular weight of 2966.32 g/mol. Its IUPAC name is 5-chloro-N-(4-chloro-1,3-thiazol-2-yl)-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluorobenzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1R,2R)-2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(dimethylamino)-4,4-difluorocyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1R,2R)-2-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]cyclohexyl]amino]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-(4-chloro-1,3-thiazol-2-yl)-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluorobenzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1R,2R)-2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(dimethylamino)-4,4-difluorocyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1R,2R)-2-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]cyclohexyl]amino]benzenesulfonamide
PubChem CID161187136
Molecular FormulaC122H141Cl7F14N26O14S8
Molecular Weight2966.32 g/mol
Exact Mass2960.65
IUPAC Name5-chloro-N-(4-chloro-1,3-thiazol-2-yl)-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluorobenzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1R,2R)-2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(dimethylamino)-4,4-difluorocyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1R,2R)-2-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]cyclohexyl]amino]benzenesulfonamide
SMILESCN(C)[C@H]1CC(F)(F)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.CN(C)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nc(Cl)cs2)cc1Cl.O=S(=O)(Nc1cccc(F)n1)c1cc(Cl)c(N[C@@H]2CCCC[C@H]2N2C[C@@H]3C(CO)[C@@H]3C2)cc1F.O=S(=O)(Nc1cccc(F)n1)c1cc(Cl)c(N[C@H]2CCCC[C@@H]2N2C[C@@H]3C(CO)[C@@H]3C2)cc1F.O=S(=O)(Nc1ccncn1)c1cc(Cl)c(N[C@@H]2CCCC[C@H]2N2CC3C(C2)C3(F)F)cc1F.O=S(=O)(Nc1ccncn1)c1cc(Cl)c(N[C@H]2CCCC[C@@H]2N2CC3C(C2)C3(F)F)cc1F
InChIInChI=1S/2C23H27ClF2N4O3S.2C21H23ClF3N5O2S.C17H21Cl2FN4O2S2.C17H20ClF3N4O2S2/c2*24-16-8-21(34(32,33)29-23-7-3-6-22(26)28-23)17(25)9-19(16)27-18-4-1-2-5-20(18)30-10-13-14(11-30)15(13)12-31;2*22-14-7-19(33(31,32)29-20-5-6-26-11-27-20)15(23)8-17(14)28-16-3-1-2-4-18(16)30-9-12-13(10-30)21(12,24)25;1-24(2)14-6-4-3-5-12(14)21-13-8-11(20)15(7-10(13)18)28(25,26)23-17-22-16(19)9-27-17;1-25(2)14-9-17(20,21)4-3-12(14)23-13-8-11(19)15(7-10(13)18)29(26,27)24-16-22-5-6-28-16/h2*3,6-9,13-15,18,20,27,31H,1-2,4-5,10-12H2,(H,28,29);2*5-8,11-13,16,18,28H,1-4,9-10H2,(H,26,27,29);7-9,12,14,21H,3-6H2,1-2H3,(H,22,23);5-8,12,14,23H,3-4,9H2,1-2H3,(H,22,24)/t2*13-,14+,15?,18-,20-;2*12?,13?,16-,18-;2*12-,14-/m101000/s1
InChIKeyUTFPHMQRPLTIBX-NXJVNOQISA-N
XLogP24.33
TPSA512.22 Ų
H-Bond Donors14
H-Bond Acceptors36
Rotatable Bonds38
Heavy Atoms191
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002966.32
LogP ≤ 524.33
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze 5-chloro-N-(4-chloro-1,3-thiazol-2-yl)-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluorobenzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1R,2R)-2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(dimethylamino)-4,4-difluorocyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1R,2R)-2-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]cyclohexyl]amino]benzenesulfonamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-chloro-1,3-thiazol-2-yl)-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluorobenzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1R,2R)-2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(dimethylamino)-4,4-difluorocyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1R,2R)-2-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]cyclohexyl]amino]benzenesulfonamide?
The IUPAC name of 5-chloro-N-(4-chloro-1,3-thiazol-2-yl)-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluorobenzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1R,2R)-2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(dimethylamino)-4,4-difluorocyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1R,2R)-2-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]cyclohexyl]amino]benzenesulfonamide (CID 161187136) is 5-chloro-N-(4-chloro-1,3-thiazol-2-yl)-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluorobenzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1R,2R)-2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(dimethylamino)-4,4-difluorocyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1R,2R)-2-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]cyclohexyl]amino]benzenesulfonamide.
What is the SMILES notation for 5-chloro-N-(4-chloro-1,3-thiazol-2-yl)-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluorobenzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1R,2R)-2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(dimethylamino)-4,4-difluorocyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1R,2R)-2-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]cyclohexyl]amino]benzenesulfonamide?
The canonical SMILES for 5-chloro-N-(4-chloro-1,3-thiazol-2-yl)-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluorobenzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1R,2R)-2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(dimethylamino)-4,4-difluorocyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1R,2R)-2-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]cyclohexyl]amino]benzenesulfonamide is CN(C)[C@H]1CC(F)(F)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.CN(C)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nc(Cl)cs2)cc1Cl.O=S(=O)(Nc1cccc(F)n1)c1cc(Cl)c(N[C@@H]2CCCC[C@H]2N2C[C@@H]3C(CO)[C@@H]3C2)cc1F.O=S(=O)(Nc1cccc(F)n1)c1cc(Cl)c(N[C@H]2CCCC[C@@H]2N2C[C@@H]3C(CO)[C@@H]3C2)cc1F.O=S(=O)(Nc1ccncn1)c1cc(Cl)c(N[C@@H]2CCCC[C@H]2N2CC3C(C2)C3(F)F)cc1F.O=S(=O)(Nc1ccncn1)c1cc(Cl)c(N[C@H]2CCCC[C@@H]2N2CC3C(C2)C3(F)F)cc1F.
What is the InChIKey of 5-chloro-N-(4-chloro-1,3-thiazol-2-yl)-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluorobenzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1R,2R)-2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(dimethylamino)-4,4-difluorocyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1R,2R)-2-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]cyclohexyl]amino]benzenesulfonamide?
The InChIKey is UTFPHMQRPLTIBX-NXJVNOQISA-N. The full InChI is InChI=1S/2C23H27ClF2N4O3S.2C21H23ClF3N5O2S.C17H21Cl2FN4O2S2.C17H20ClF3N4O2S2/c2*24-16-8-21(34(32,33)29-23-7-3-6-22(26)28-23)17(25)9-19(16)27-18-4-1-2-5-20(18)30-10-13-14(11-30)15(13)12-31;2*22-14-7-19(33(31,32)29-20-5-6-26-11-27-20)15(23)8-17(14)28-16-3-1-2-4-18(16)30-9-12-13(10-30)21(12,24)25;1-24(2)14-6-4-3-5-12(14)21-13-8-11(20)15(7-10(13)18)28(25,26)23-17-22-16(19)9-27-17;1-25(2)14-9-17(20,21)4-3-12(14)23-13-8-11(19)15(7-10(13)18)29(26,27)24-16-22-5-6-28-16/h2*3,6-9,13-15,18,20,27,31H,1-2,4-5,10-12H2,(H,28,29);2*5-8,11-13,16,18,28H,1-4,9-10H2,(H,26,27,29);7-9,12,14,21H,3-6H2,1-2H3,(H,22,23);5-8,12,14,23H,3-4,9H2,1-2H3,(H,22,24)/t2*13-,14+,15?,18-,20-;2*12?,13?,16-,18-;2*12-,14-/m101000/s1.
What are the key properties of 5-chloro-N-(4-chloro-1,3-thiazol-2-yl)-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluorobenzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1R,2R)-2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(dimethylamino)-4,4-difluorocyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1R,2R)-2-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]cyclohexyl]amino]benzenesulfonamide?
5-chloro-N-(4-chloro-1,3-thiazol-2-yl)-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluorobenzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1R,2R)-2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(dimethylamino)-4,4-difluorocyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1R,2R)-2-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]cyclohexyl]amino]benzenesulfonamide has a molecular weight of 2966.32 g/mol, XLogP of 24.33, 38 rotatable bonds, 14 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-chloro-1,3-thiazol-2-yl)-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluorobenzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1R,2R)-2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(dimethylamino)-4,4-difluorocyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1R,2R)-2-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]cyclohexyl]amino]benzenesulfonamide is sourced from PubChem (CID 161187136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).