5-chloro-4-[[(1S,2S,4S)-4-[3-chloro-5-(trifluoromethyl)phenyl]-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(1-methylpyrazol-4-yl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(2-methylpyrazol-3-yl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)-N-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]aniline

C109H116Cl5F10N23O8S4 — CID 158046862

About 5-chloro-4-[[(1S,2S,4S)-4-[3-chloro-5-(trifluoromethyl)phenyl]-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(1-methylpyrazol-4-yl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(2-methylpyrazol-3-yl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)-N-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]aniline

5-chloro-4-[[(1S,2S,4S)-4-[3-chloro-5-(trifluoromethyl)phenyl]-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(1-methylpyrazol-4-yl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(2-methylpyrazol-3-yl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)-N-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]aniline (PubChem CID 158046862) has the molecular formula C109H116Cl5F10N23O8S4 and a molecular weight of 2371.79 g/mol. Its IUPAC name is 5-chloro-4-[[(1S,2S,4S)-4-[3-chloro-5-(trifluoromethyl)phenyl]-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(1-methylpyrazol-4-yl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(2-methylpyrazol-3-yl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)-N-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]aniline.

Molecular Properties

• Compound Name: 5-chloro-4-[[(1S,2S,4S)-4-[3-chloro-5-(trifluoromethyl)phenyl]-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(1-methylpyrazol-4-yl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(2-methylpyrazol-3-yl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)-N-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]aniline
• PubChem CID: 158046862
• Molecular Formula: C109H116Cl5F10N23O8S4
• Molecular Weight: 2371.79 g/mol
• Exact Mass: 2367.65
• IUPAC Name: 5-chloro-4-[[(1S,2S,4S)-4-[3-chloro-5-(trifluoromethyl)phenyl]-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(1-methylpyrazol-4-yl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(2-methylpyrazol-3-yl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)-N-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]aniline
• SMILES: CN(C)[C@H]1C[C@@H](c2cc(Cl)cc(C(F)(F)F)c2)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1Cl.CN(C)[C@H]1C[C@@H](c2cccc(-c3ccnn3C)c2)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1Cl.CN(C)[C@H]1C[C@@H](c2cccc(-c3cnn(C)c3)c2)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1Cl.O=S(=O)(Cc1ccncn1)c1cc(Cl)c(N[C@H]2CC[C@H](c3cccc(C(F)(F)F)c3)C[C@@H]2N2CCCC2)cc1F
• InChI: InChI=1S/C28H29ClF4N4O2S.2C28H31ClFN7O2S.C25H25Cl2F4N5O2S/c29-22-14-27(40(38,39)16-21-8-9-34-17-35-21)23(30)15-25(22)36-24-7-6-19(13-26(24)37-10-1-2-11-37)18-4-3-5-20(12-18)28(31,32)33;1-36(2)26-14-19(18-5-4-6-20(13-18)25-9-12-33-37(25)3)7-8-23(26)34-24-16-22(30)27(15-21(24)29)40(38,39)35-28-10-11-31-17-32-28;1-36(2)26-12-20(18-5-4-6-19(11-18)21-15-33-37(3)16-21)7-8-24(26)34-25-14-23(30)27(13-22(25)29)40(38,39)35-28-9-10-31-17-32-28;1-36(2)22-9-14(15-7-16(25(29,30)31)10-17(26)8-15)3-4-20(22)34-21-12-19(28)23(11-18(21)27)39(37,38)35-24-5-6-32-13-33-24/h3-5,8-9,12,14-15,17,19,24,26,36H,1-2,6-7,10-11,13,16H2;4-6,9-13,15-17,19,23,26,34H,7-8,14H2,1-3H3,(H,31,32,35);4-6,9-11,13-17,20,24,26,34H,7-8,12H2,1-3H3,(H,31,32,35);5-8,10-14,20,22,34H,3-4,9H2,1-2H3,(H,32,33,35)/t19-,24-,26-;19-,23-,26-;20-,24-,26-;14-,20-,22-/m0000/s1
• InChIKey: FJAGLJBRKGCGPP-DOPBLFLISA-N
• XLogP: 23.19
• TPSA: 372.49 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 28
• Rotatable Bonds: 30
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2371.79
LogP ≤ 5	23.19
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[(1S,2S,4S)-4-[3-chloro-5-(trifluoromethyl)phenyl]-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(1-methylpyrazol-4-yl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(2-methylpyrazol-3-yl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)-N-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]aniline?

The IUPAC name of 5-chloro-4-[[(1S,2S,4S)-4-[3-chloro-5-(trifluoromethyl)phenyl]-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(1-methylpyrazol-4-yl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(2-methylpyrazol-3-yl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)-N-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]aniline (CID 158046862) is 5-chloro-4-[[(1S,2S,4S)-4-[3-chloro-5-(trifluoromethyl)phenyl]-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(1-methylpyrazol-4-yl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(2-methylpyrazol-3-yl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)-N-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]aniline.

What is the SMILES notation for 5-chloro-4-[[(1S,2S,4S)-4-[3-chloro-5-(trifluoromethyl)phenyl]-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(1-methylpyrazol-4-yl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(2-methylpyrazol-3-yl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)-N-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]aniline?

The canonical SMILES for 5-chloro-4-[[(1S,2S,4S)-4-[3-chloro-5-(trifluoromethyl)phenyl]-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(1-methylpyrazol-4-yl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(2-methylpyrazol-3-yl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)-N-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]aniline is CN(C)[C@H]1C[C@@H](c2cc(Cl)cc(C(F)(F)F)c2)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1Cl.CN(C)[C@H]1C[C@@H](c2cccc(-c3ccnn3C)c2)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1Cl.CN(C)[C@H]1C[C@@H](c2cccc(-c3cnn(C)c3)c2)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1Cl.O=S(=O)(Cc1ccncn1)c1cc(Cl)c(N[C@H]2CC[C@H](c3cccc(C(F)(F)F)c3)C[C@@H]2N2CCCC2)cc1F.

What is the InChIKey of 5-chloro-4-[[(1S,2S,4S)-4-[3-chloro-5-(trifluoromethyl)phenyl]-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(1-methylpyrazol-4-yl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(2-methylpyrazol-3-yl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)-N-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]aniline?

The InChIKey is FJAGLJBRKGCGPP-DOPBLFLISA-N. The full InChI is InChI=1S/C28H29ClF4N4O2S.2C28H31ClFN7O2S.C25H25Cl2F4N5O2S/c29-22-14-27(40(38,39)16-21-8-9-34-17-35-21)23(30)15-25(22)36-24-7-6-19(13-26(24)37-10-1-2-11-37)18-4-3-5-20(12-18)28(31,32)33;1-36(2)26-14-19(18-5-4-6-20(13-18)25-9-12-33-37(25)3)7-8-23(26)34-24-16-22(30)27(15-21(24)29)40(38,39)35-28-10-11-31-17-32-28;1-36(2)26-12-20(18-5-4-6-19(11-18)21-15-33-37(3)16-21)7-8-24(26)34-25-14-23(30)27(13-22(25)29)40(38,39)35-28-9-10-31-17-32-28;1-36(2)22-9-14(15-7-16(25(29,30)31)10-17(26)8-15)3-4-20(22)34-21-12-19(28)23(11-18(21)27)39(37,38)35-24-5-6-32-13-33-24/h3-5,8-9,12,14-15,17,19,24,26,36H,1-2,6-7,10-11,13,16H2;4-6,9-13,15-17,19,23,26,34H,7-8,14H2,1-3H3,(H,31,32,35);4-6,9-11,13-17,20,24,26,34H,7-8,12H2,1-3H3,(H,31,32,35);5-8,10-14,20,22,34H,3-4,9H2,1-2H3,(H,32,33,35)/t19-,24-,26-;19-,23-,26-;20-,24-,26-;14-,20-,22-/m0000/s1.

What are the key properties of 5-chloro-4-[[(1S,2S,4S)-4-[3-chloro-5-(trifluoromethyl)phenyl]-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(1-methylpyrazol-4-yl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(2-methylpyrazol-3-yl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)-N-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]aniline?

5-chloro-4-[[(1S,2S,4S)-4-[3-chloro-5-(trifluoromethyl)phenyl]-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(1-methylpyrazol-4-yl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(2-methylpyrazol-3-yl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)-N-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]aniline has a molecular weight of 2371.79 g/mol, XLogP of 23.19, 30 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-4-[[(1S,2S,4S)-4-[3-chloro-5-(trifluoromethyl)phenyl]-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(1-methylpyrazol-4-yl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(2-methylpyrazol-3-yl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)-N-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]aniline is sourced from PubChem (CID 158046862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).