dicesium;5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-6-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-3-sulfonamide;5-chloro-6-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-3-sulfonamide;5,6-dichloro-N-[(2,4-dimethoxyphenyl)methyl]-N-pyrimidin-4-ylpyridine-3-sulfonamide;(1S,2S,4S)-2-N,2-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;formic acid;hydride;methane;oxido formate

C94H111Cl4Cs2F9N18O15S3 — CID 157466540

About dicesium;5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-6-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-3-sulfonamide;5-chloro-6-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-3-sulfonamide;5,6-dichloro-N-[(2,4-dimethoxyphenyl)methyl]-N-pyrimidin-4-ylpyridine-3-sulfonamide;(1S,2S,4S)-2-N,2-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;formic acid;hydride;methane;oxido formate

dicesium;5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-6-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-3-sulfonamide;5-chloro-6-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-3-sulfonamide;5,6-dichloro-N-[(2,4-dimethoxyphenyl)methyl]-N-pyrimidin-4-ylpyridine-3-sulfonamide;(1S,2S,4S)-2-N,2-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;formic acid;hydride;methane;oxido formate (PubChem CID 157466540) has the molecular formula C94H111Cl4Cs2F9N18O15S3 and a molecular weight of 2407.84 g/mol. Its IUPAC name is dicesium;5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-6-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-3-sulfonamide;5-chloro-6-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-3-sulfonamide;5,6-dichloro-N-[(2,4-dimethoxyphenyl)methyl]-N-pyrimidin-4-ylpyridine-3-sulfonamide;(1S,2S,4S)-2-N,2-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;formic acid;hydride;methane;oxido formate.

Molecular Properties

• Compound Name: dicesium;5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-6-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-3-sulfonamide;5-chloro-6-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-3-sulfonamide;5,6-dichloro-N-[(2,4-dimethoxyphenyl)methyl]-N-pyrimidin-4-ylpyridine-3-sulfonamide;(1S,2S,4S)-2-N,2-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;formic acid;hydride;methane;oxido formate
• PubChem CID: 157466540
• Molecular Formula: C94H111Cl4Cs2F9N18O15S3
• Molecular Weight: 2407.84 g/mol
• Exact Mass: 2404.44
• IUPAC Name: dicesium;5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-6-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-3-sulfonamide;5-chloro-6-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-3-sulfonamide;5,6-dichloro-N-[(2,4-dimethoxyphenyl)methyl]-N-pyrimidin-4-ylpyridine-3-sulfonamide;(1S,2S,4S)-2-N,2-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;formic acid;hydride;methane;oxido formate
• SMILES: C.C.CN(C)[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1N.CN(C)[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1Nc1ncc(S(=O)(=O)Nc2ccncn2)cc1Cl.COc1ccc(CN(c2ccncn2)S(=O)(=O)c2cnc(Cl)c(Cl)c2)c(OC)c1.COc1ccc(CN(c2ccncn2)S(=O)(=O)c2cnc(N[C@H]3CC[C@H](c4cccc(C(F)(F)F)c4)C[C@@H]3N(C)C)c(Cl)c2)c(OC)c1.O=CO.O=CO[O-].[Cs+].[Cs+].[H-]
• InChI: InChI=1S/C33H36ClF3N6O4S.C24H26ClF3N6O2S.C18H16Cl2N4O4S.C15H21F3N2.CH2O3.CH2O2.2CH4.2Cs.H/c1-42(2)29-15-22(21-6-5-7-24(14-21)33(35,36)37)9-11-28(29)41-32-27(34)17-26(18-39-32)48(44,45)43(31-12-13-38-20-40-31)19-23-8-10-25(46-3)16-30(23)47-4;1-34(2)21-11-16(15-4-3-5-17(10-15)24(26,27)28)6-7-20(21)32-23-19(25)12-18(13-30-23)37(35,36)33-22-8-9-29-14-31-22;1-27-13-4-3-12(16(7-13)28-2)10-24(17-5-6-21-11-23-17)29(25,26)14-8-15(19)18(20)22-9-14;1-20(2)14-9-11(6-7-13(14)19)10-4-3-5-12(8-10)15(16,17)18;2-1-4-3;2-1-3;;;;;/h5-8,10,12-14,16-18,20,22,28-29H,9,11,15,19H2,1-4H3,(H,39,41);3-5,8-10,12-14,16,20-21H,6-7,11H2,1-2H3,(H,30,32)(H,29,31,33);3-9,11H,10H2,1-2H3;3-5,8,11,13-14H,6-7,9,19H2,1-2H3;1,3H;1H,(H,2,3);2*1H4;;;/q;;;;;;;;2*+1;-1/p-1/t22-,28-,29-;16-,20-,21-;;11-,13-,14-;;;;;;;/m00.0......./s1
• InChIKey: KRCHPGMDPRWXQT-AJAAZKIDSA-M
• XLogP: 12.01
• TPSA: 420.32 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 28
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2407.84
LogP ≤ 5	12.01
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dicesium;5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-6-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-3-sulfonamide;5-chloro-6-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-3-sulfonamide;5,6-dichloro-N-[(2,4-dimethoxyphenyl)methyl]-N-pyrimidin-4-ylpyridine-3-sulfonamide;(1S,2S,4S)-2-N,2-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;formic acid;hydride;methane;oxido formate?

The IUPAC name of dicesium;5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-6-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-3-sulfonamide;5-chloro-6-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-3-sulfonamide;5,6-dichloro-N-[(2,4-dimethoxyphenyl)methyl]-N-pyrimidin-4-ylpyridine-3-sulfonamide;(1S,2S,4S)-2-N,2-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;formic acid;hydride;methane;oxido formate (CID 157466540) is dicesium;5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-6-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-3-sulfonamide;5-chloro-6-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-3-sulfonamide;5,6-dichloro-N-[(2,4-dimethoxyphenyl)methyl]-N-pyrimidin-4-ylpyridine-3-sulfonamide;(1S,2S,4S)-2-N,2-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;formic acid;hydride;methane;oxido formate.

What is the SMILES notation for dicesium;5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-6-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-3-sulfonamide;5-chloro-6-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-3-sulfonamide;5,6-dichloro-N-[(2,4-dimethoxyphenyl)methyl]-N-pyrimidin-4-ylpyridine-3-sulfonamide;(1S,2S,4S)-2-N,2-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;formic acid;hydride;methane;oxido formate?

The canonical SMILES for dicesium;5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-6-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-3-sulfonamide;5-chloro-6-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-3-sulfonamide;5,6-dichloro-N-[(2,4-dimethoxyphenyl)methyl]-N-pyrimidin-4-ylpyridine-3-sulfonamide;(1S,2S,4S)-2-N,2-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;formic acid;hydride;methane;oxido formate is C.C.CN(C)[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1N.CN(C)[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1Nc1ncc(S(=O)(=O)Nc2ccncn2)cc1Cl.COc1ccc(CN(c2ccncn2)S(=O)(=O)c2cnc(Cl)c(Cl)c2)c(OC)c1.COc1ccc(CN(c2ccncn2)S(=O)(=O)c2cnc(N[C@H]3CC[C@H](c4cccc(C(F)(F)F)c4)C[C@@H]3N(C)C)c(Cl)c2)c(OC)c1.O=CO.O=CO[O-].[Cs+].[Cs+].[H-].

What is the InChIKey of dicesium;5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-6-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-3-sulfonamide;5-chloro-6-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-3-sulfonamide;5,6-dichloro-N-[(2,4-dimethoxyphenyl)methyl]-N-pyrimidin-4-ylpyridine-3-sulfonamide;(1S,2S,4S)-2-N,2-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;formic acid;hydride;methane;oxido formate?

The InChIKey is KRCHPGMDPRWXQT-AJAAZKIDSA-M. The full InChI is InChI=1S/C33H36ClF3N6O4S.C24H26ClF3N6O2S.C18H16Cl2N4O4S.C15H21F3N2.CH2O3.CH2O2.2CH4.2Cs.H/c1-42(2)29-15-22(21-6-5-7-24(14-21)33(35,36)37)9-11-28(29)41-32-27(34)17-26(18-39-32)48(44,45)43(31-12-13-38-20-40-31)19-23-8-10-25(46-3)16-30(23)47-4;1-34(2)21-11-16(15-4-3-5-17(10-15)24(26,27)28)6-7-20(21)32-23-19(25)12-18(13-30-23)37(35,36)33-22-8-9-29-14-31-22;1-27-13-4-3-12(16(7-13)28-2)10-24(17-5-6-21-11-23-17)29(25,26)14-8-15(19)18(20)22-9-14;1-20(2)14-9-11(6-7-13(14)19)10-4-3-5-12(8-10)15(16,17)18;2-1-4-3;2-1-3;;;;;/h5-8,10,12-14,16-18,20,22,28-29H,9,11,15,19H2,1-4H3,(H,39,41);3-5,8-10,12-14,16,20-21H,6-7,11H2,1-2H3,(H,30,32)(H,29,31,33);3-9,11H,10H2,1-2H3;3-5,8,11,13-14H,6-7,9,19H2,1-2H3;1,3H;1H,(H,2,3);2*1H4;;;/q;;;;;;;;2*+1;-1/p-1/t22-,28-,29-;16-,20-,21-;;11-,13-,14-;;;;;;;/m00.0......./s1.

What are the key properties of dicesium;5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-6-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-3-sulfonamide;5-chloro-6-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-3-sulfonamide;5,6-dichloro-N-[(2,4-dimethoxyphenyl)methyl]-N-pyrimidin-4-ylpyridine-3-sulfonamide;(1S,2S,4S)-2-N,2-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;formic acid;hydride;methane;oxido formate?

dicesium;5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-6-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-3-sulfonamide;5-chloro-6-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-3-sulfonamide;5,6-dichloro-N-[(2,4-dimethoxyphenyl)methyl]-N-pyrimidin-4-ylpyridine-3-sulfonamide;(1S,2S,4S)-2-N,2-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;formic acid;hydride;methane;oxido formate has a molecular weight of 2407.84 g/mol, XLogP of 12.01, 28 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for dicesium;5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-6-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-3-sulfonamide;5-chloro-6-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-3-sulfonamide;5,6-dichloro-N-[(2,4-dimethoxyphenyl)methyl]-N-pyrimidin-4-ylpyridine-3-sulfonamide;(1S,2S,4S)-2-N,2-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;formic acid;hydride;methane;oxido formate is sourced from PubChem (CID 157466540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).