4-[[(1S,2S)-2-(azetidin-1-yl)cyclohexyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-[cyclopropyl(methyl)amino]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,6S)-6-(dimethylamino)-4-(trifluoromethyl)cyclohex-3-en-1-yl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(ethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[methyl-[(1S,2S)-2-(methylamino)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-cyclopropyl-4-[(1S,2S)-2-(dimethylamino)cyclohexyl]oxy-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide

C109H135Cl5F9N23O13S12 — CID 159155143

About 4-[[(1S,2S)-2-(azetidin-1-yl)cyclohexyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-[cyclopropyl(methyl)amino]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,6S)-6-(dimethylamino)-4-(trifluoromethyl)cyclohex-3-en-1-yl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(ethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[methyl-[(1S,2S)-2-(methylamino)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-cyclopropyl-4-[(1S,2S)-2-(dimethylamino)cyclohexyl]oxy-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-[[(1S,2S)-2-(azetidin-1-yl)cyclohexyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-[cyclopropyl(methyl)amino]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,6S)-6-(dimethylamino)-4-(trifluoromethyl)cyclohex-3-en-1-yl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(ethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[methyl-[(1S,2S)-2-(methylamino)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-cyclopropyl-4-[(1S,2S)-2-(dimethylamino)cyclohexyl]oxy-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 159155143) has the molecular formula C109H135Cl5F9N23O13S12 and a molecular weight of 2708.48 g/mol. Its IUPAC name is 4-[[(1S,2S)-2-(azetidin-1-yl)cyclohexyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-[cyclopropyl(methyl)amino]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,6S)-6-(dimethylamino)-4-(trifluoromethyl)cyclohex-3-en-1-yl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(ethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[methyl-[(1S,2S)-2-(methylamino)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-cyclopropyl-4-[(1S,2S)-2-(dimethylamino)cyclohexyl]oxy-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

• Compound Name: 4-[[(1S,2S)-2-(azetidin-1-yl)cyclohexyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-[cyclopropyl(methyl)amino]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,6S)-6-(dimethylamino)-4-(trifluoromethyl)cyclohex-3-en-1-yl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(ethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[methyl-[(1S,2S)-2-(methylamino)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-cyclopropyl-4-[(1S,2S)-2-(dimethylamino)cyclohexyl]oxy-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
• PubChem CID: 159155143
• Molecular Formula: C109H135Cl5F9N23O13S12
• Molecular Weight: 2708.48 g/mol
• Exact Mass: 2703.56
• IUPAC Name: 4-[[(1S,2S)-2-(azetidin-1-yl)cyclohexyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-[cyclopropyl(methyl)amino]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,6S)-6-(dimethylamino)-4-(trifluoromethyl)cyclohex-3-en-1-yl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(ethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[methyl-[(1S,2S)-2-(methylamino)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-cyclopropyl-4-[(1S,2S)-2-(dimethylamino)cyclohexyl]oxy-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
• SMILES: CCN[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.CN(C)[C@H]1CC(C(F)(F)F)=CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.CN(C)[C@H]1CCCC[C@@H]1Oc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1C1CC1.CN(C1CC1)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.CN[C@H]1CCCC[C@@H]1N(C)c1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.O=S(=O)(Nc1nccs1)c1cc(Cl)c(N[C@H]2CCCC[C@@H]2N2CCC2)cc1F
• InChI: InChI=1S/C20H26FN3O3S2.C19H24ClFN4O2S2.C18H19ClF4N4O2S2.C18H22ClFN4O2S2.2C17H22ClFN4O2S2/c1-24(2)16-5-3-4-6-17(16)27-18-12-15(21)19(11-14(18)13-7-8-13)29(25,26)23-20-22-9-10-28-20;1-25(12-6-7-12)17-5-3-2-4-15(17)23-16-11-14(21)18(10-13(16)20)29(26,27)24-19-22-8-9-28-19;1-27(2)15-7-10(18(21,22)23)3-4-13(15)25-14-9-12(20)16(8-11(14)19)31(28,29)26-17-24-5-6-30-17;19-12-10-17(28(25,26)23-18-21-6-9-27-18)13(20)11-15(12)22-14-4-1-2-5-16(14)24-7-3-8-24;1-20-13-5-3-4-6-14(13)23(2)15-10-12(19)16(9-11(15)18)27(24,25)22-17-21-7-8-26-17;1-2-20-13-5-3-4-6-14(13)22-15-10-12(19)16(9-11(15)18)27(24,25)23-17-21-7-8-26-17/h9-13,16-17H,3-8H2,1-2H3,(H,22,23);8-12,15,17,23H,2-7H2,1H3,(H,22,24);3,5-6,8-9,13,15,25H,4,7H2,1-2H3,(H,24,26);6,9-11,14,16,22H,1-5,7-8H2,(H,21,23);7-10,13-14,20H,3-6H2,1-2H3,(H,21,22);7-10,13-14,20,22H,2-6H2,1H3,(H,21,23)/t16-,17-;15-,17-;13-,15-;14-,16-;2*13-,14-/m000000/s1
• InChIKey: KJUHJAOARAETIB-HWZLFJPLSA-N
• XLogP: 25.43
• TPSA: 451.97 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 36
• Rotatable Bonds: 39
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2708.48
LogP ≤ 5	25.43
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[[(1S,2S)-2-(azetidin-1-yl)cyclohexyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-[cyclopropyl(methyl)amino]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,6S)-6-(dimethylamino)-4-(trifluoromethyl)cyclohex-3-en-1-yl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(ethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[methyl-[(1S,2S)-2-(methylamino)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-cyclopropyl-4-[(1S,2S)-2-(dimethylamino)cyclohexyl]oxy-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide?

The IUPAC name of 4-[[(1S,2S)-2-(azetidin-1-yl)cyclohexyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-[cyclopropyl(methyl)amino]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,6S)-6-(dimethylamino)-4-(trifluoromethyl)cyclohex-3-en-1-yl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(ethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[methyl-[(1S,2S)-2-(methylamino)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-cyclopropyl-4-[(1S,2S)-2-(dimethylamino)cyclohexyl]oxy-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 159155143) is 4-[[(1S,2S)-2-(azetidin-1-yl)cyclohexyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-[cyclopropyl(methyl)amino]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,6S)-6-(dimethylamino)-4-(trifluoromethyl)cyclohex-3-en-1-yl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(ethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[methyl-[(1S,2S)-2-(methylamino)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-cyclopropyl-4-[(1S,2S)-2-(dimethylamino)cyclohexyl]oxy-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide.

What is the SMILES notation for 4-[[(1S,2S)-2-(azetidin-1-yl)cyclohexyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-[cyclopropyl(methyl)amino]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,6S)-6-(dimethylamino)-4-(trifluoromethyl)cyclohex-3-en-1-yl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(ethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[methyl-[(1S,2S)-2-(methylamino)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-cyclopropyl-4-[(1S,2S)-2-(dimethylamino)cyclohexyl]oxy-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide?

The canonical SMILES for 4-[[(1S,2S)-2-(azetidin-1-yl)cyclohexyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-[cyclopropyl(methyl)amino]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,6S)-6-(dimethylamino)-4-(trifluoromethyl)cyclohex-3-en-1-yl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(ethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[methyl-[(1S,2S)-2-(methylamino)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-cyclopropyl-4-[(1S,2S)-2-(dimethylamino)cyclohexyl]oxy-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide is CCN[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.CN(C)[C@H]1CC(C(F)(F)F)=CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.CN(C)[C@H]1CCCC[C@@H]1Oc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1C1CC1.CN(C1CC1)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.CN[C@H]1CCCC[C@@H]1N(C)c1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.O=S(=O)(Nc1nccs1)c1cc(Cl)c(N[C@H]2CCCC[C@@H]2N2CCC2)cc1F.

What is the InChIKey of 4-[[(1S,2S)-2-(azetidin-1-yl)cyclohexyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-[cyclopropyl(methyl)amino]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,6S)-6-(dimethylamino)-4-(trifluoromethyl)cyclohex-3-en-1-yl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(ethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[methyl-[(1S,2S)-2-(methylamino)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-cyclopropyl-4-[(1S,2S)-2-(dimethylamino)cyclohexyl]oxy-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide?

The InChIKey is KJUHJAOARAETIB-HWZLFJPLSA-N. The full InChI is InChI=1S/C20H26FN3O3S2.C19H24ClFN4O2S2.C18H19ClF4N4O2S2.C18H22ClFN4O2S2.2C17H22ClFN4O2S2/c1-24(2)16-5-3-4-6-17(16)27-18-12-15(21)19(11-14(18)13-7-8-13)29(25,26)23-20-22-9-10-28-20;1-25(12-6-7-12)17-5-3-2-4-15(17)23-16-11-14(21)18(10-13(16)20)29(26,27)24-19-22-8-9-28-19;1-27(2)15-7-10(18(21,22)23)3-4-13(15)25-14-9-12(20)16(8-11(14)19)31(28,29)26-17-24-5-6-30-17;19-12-10-17(28(25,26)23-18-21-6-9-27-18)13(20)11-15(12)22-14-4-1-2-5-16(14)24-7-3-8-24;1-20-13-5-3-4-6-14(13)23(2)15-10-12(19)16(9-11(15)18)27(24,25)22-17-21-7-8-26-17;1-2-20-13-5-3-4-6-14(13)22-15-10-12(19)16(9-11(15)18)27(24,25)23-17-21-7-8-26-17/h9-13,16-17H,3-8H2,1-2H3,(H,22,23);8-12,15,17,23H,2-7H2,1H3,(H,22,24);3,5-6,8-9,13,15,25H,4,7H2,1-2H3,(H,24,26);6,9-11,14,16,22H,1-5,7-8H2,(H,21,23);7-10,13-14,20H,3-6H2,1-2H3,(H,21,22);7-10,13-14,20,22H,2-6H2,1H3,(H,21,23)/t16-,17-;15-,17-;13-,15-;14-,16-;2*13-,14-/m000000/s1.

What are the key properties of 4-[[(1S,2S)-2-(azetidin-1-yl)cyclohexyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-[cyclopropyl(methyl)amino]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,6S)-6-(dimethylamino)-4-(trifluoromethyl)cyclohex-3-en-1-yl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(ethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[methyl-[(1S,2S)-2-(methylamino)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-cyclopropyl-4-[(1S,2S)-2-(dimethylamino)cyclohexyl]oxy-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide?

4-[[(1S,2S)-2-(azetidin-1-yl)cyclohexyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-[cyclopropyl(methyl)amino]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,6S)-6-(dimethylamino)-4-(trifluoromethyl)cyclohex-3-en-1-yl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(ethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[methyl-[(1S,2S)-2-(methylamino)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-cyclopropyl-4-[(1S,2S)-2-(dimethylamino)cyclohexyl]oxy-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 2708.48 g/mol, XLogP of 25.43, 39 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[(1S,2S)-2-(azetidin-1-yl)cyclohexyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-[cyclopropyl(methyl)amino]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,6S)-6-(dimethylamino)-4-(trifluoromethyl)cyclohex-3-en-1-yl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(ethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[methyl-[(1S,2S)-2-(methylamino)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-cyclopropyl-4-[(1S,2S)-2-(dimethylamino)cyclohexyl]oxy-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 159155143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).