5-chloro-N-(5-chloro-1,3-thiazol-2-yl)-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluorobenzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide;5-cyclopropyl-4-[(1R)-2-(dimethylamino)cyclohexyl]oxy-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide

C55H71Cl3F3N11O7S6 — CID 159032381

About 5-chloro-N-(5-chloro-1,3-thiazol-2-yl)-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluorobenzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide;5-cyclopropyl-4-[(1R)-2-(dimethylamino)cyclohexyl]oxy-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide

5-chloro-N-(5-chloro-1,3-thiazol-2-yl)-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluorobenzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide;5-cyclopropyl-4-[(1R)-2-(dimethylamino)cyclohexyl]oxy-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 159032381) has the molecular formula C55H71Cl3F3N11O7S6 and a molecular weight of 1354.00 g/mol. Its IUPAC name is 5-chloro-N-(5-chloro-1,3-thiazol-2-yl)-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluorobenzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide;5-cyclopropyl-4-[(1R)-2-(dimethylamino)cyclohexyl]oxy-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

• Compound Name: 5-chloro-N-(5-chloro-1,3-thiazol-2-yl)-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluorobenzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide;5-cyclopropyl-4-[(1R)-2-(dimethylamino)cyclohexyl]oxy-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
• PubChem CID: 159032381
• Molecular Formula: C55H71Cl3F3N11O7S6
• Molecular Weight: 1354.00 g/mol
• Exact Mass: 1351.29
• IUPAC Name: 5-chloro-N-(5-chloro-1,3-thiazol-2-yl)-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluorobenzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide;5-cyclopropyl-4-[(1R)-2-(dimethylamino)cyclohexyl]oxy-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
• SMILES: CN(C)C1CCCC[C@H]1Oc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1C1CC1.CN(C)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2ncc(Cl)s2)cc1Cl.Cc1csc(NS(=O)(=O)c2cc(Cl)c(N[C@H]3CCCC[C@@H]3N(C)C)cc2F)n1
• InChI: InChI=1S/C20H26FN3O3S2.C18H24ClFN4O2S2.C17H21Cl2FN4O2S2/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;1-11-10-27-18(21-11)23-28(25,26)17-8-12(19)15(9-13(17)20)22-14-6-4-5-7-16(14)24(2)3;1-24(2)14-6-4-3-5-12(14)22-13-8-11(20)15(7-10(13)18)28(25,26)23-17-21-9-16(19)27-17/h9-13,16-17H,3-8H2,1-2H3,(H,22,23);8-10,14,16,22H,4-7H2,1-3H3,(H,21,23);7-9,12,14,22H,3-6H2,1-2H3,(H,21,23)/t16?,17-;14-,16-;12-,14-/m100/s1
• InChIKey: JVARHXGPTCDTTB-CHLDRUHESA-N
• XLogP: 13.22
• TPSA: 220.19 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 19
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1354.00
LogP ≤ 5	13.22
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-chloro-1,3-thiazol-2-yl)-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluorobenzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide;5-cyclopropyl-4-[(1R)-2-(dimethylamino)cyclohexyl]oxy-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide?

The IUPAC name of 5-chloro-N-(5-chloro-1,3-thiazol-2-yl)-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluorobenzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide;5-cyclopropyl-4-[(1R)-2-(dimethylamino)cyclohexyl]oxy-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 159032381) is 5-chloro-N-(5-chloro-1,3-thiazol-2-yl)-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluorobenzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide;5-cyclopropyl-4-[(1R)-2-(dimethylamino)cyclohexyl]oxy-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide.

What is the SMILES notation for 5-chloro-N-(5-chloro-1,3-thiazol-2-yl)-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluorobenzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide;5-cyclopropyl-4-[(1R)-2-(dimethylamino)cyclohexyl]oxy-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide?

The canonical SMILES for 5-chloro-N-(5-chloro-1,3-thiazol-2-yl)-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluorobenzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide;5-cyclopropyl-4-[(1R)-2-(dimethylamino)cyclohexyl]oxy-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide is CN(C)C1CCCC[C@H]1Oc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1C1CC1.CN(C)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2ncc(Cl)s2)cc1Cl.Cc1csc(NS(=O)(=O)c2cc(Cl)c(N[C@H]3CCCC[C@@H]3N(C)C)cc2F)n1.

What is the InChIKey of 5-chloro-N-(5-chloro-1,3-thiazol-2-yl)-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluorobenzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide;5-cyclopropyl-4-[(1R)-2-(dimethylamino)cyclohexyl]oxy-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide?

The InChIKey is JVARHXGPTCDTTB-CHLDRUHESA-N. The full InChI is InChI=1S/C20H26FN3O3S2.C18H24ClFN4O2S2.C17H21Cl2FN4O2S2/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;1-11-10-27-18(21-11)23-28(25,26)17-8-12(19)15(9-13(17)20)22-14-6-4-5-7-16(14)24(2)3;1-24(2)14-6-4-3-5-12(14)22-13-8-11(20)15(7-10(13)18)28(25,26)23-17-21-9-16(19)27-17/h9-13,16-17H,3-8H2,1-2H3,(H,22,23);8-10,14,16,22H,4-7H2,1-3H3,(H,21,23);7-9,12,14,22H,3-6H2,1-2H3,(H,21,23)/t16?,17-;14-,16-;12-,14-/m100/s1.

What are the key properties of 5-chloro-N-(5-chloro-1,3-thiazol-2-yl)-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluorobenzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide;5-cyclopropyl-4-[(1R)-2-(dimethylamino)cyclohexyl]oxy-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide?

5-chloro-N-(5-chloro-1,3-thiazol-2-yl)-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluorobenzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide;5-cyclopropyl-4-[(1R)-2-(dimethylamino)cyclohexyl]oxy-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 1354.00 g/mol, XLogP of 13.22, 19 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-(5-chloro-1,3-thiazol-2-yl)-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluorobenzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide;5-cyclopropyl-4-[(1R)-2-(dimethylamino)cyclohexyl]oxy-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 159032381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).