4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(5-chloro-2,6-dimethylpyrimidin-4-yl)benzenesulfonamide;4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide;4-[(3R)-4-[2-(6-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen

C78H95Cl4F3N18O9S4 — CID 161271771

About 4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(5-chloro-2,6-dimethylpyrimidin-4-yl)benzenesulfonamide;4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide;4-[(3R)-4-[2-(6-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen

4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(5-chloro-2,6-dimethylpyrimidin-4-yl)benzenesulfonamide;4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide;4-[(3R)-4-[2-(6-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen (PubChem CID 161271771) has the molecular formula C78H95Cl4F3N18O9S4 and a molecular weight of 1755.81 g/mol. Its IUPAC name is 4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(5-chloro-2,6-dimethylpyrimidin-4-yl)benzenesulfonamide;4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide;4-[(3R)-4-[2-(6-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen.

Molecular Properties

• Compound Name: 4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(5-chloro-2,6-dimethylpyrimidin-4-yl)benzenesulfonamide;4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide;4-[(3R)-4-[2-(6-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen
• PubChem CID: 161271771
• Molecular Formula: C78H95Cl4F3N18O9S4
• Molecular Weight: 1755.81 g/mol
• Exact Mass: 1752.51
• IUPAC Name: 4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(5-chloro-2,6-dimethylpyrimidin-4-yl)benzenesulfonamide;4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide;4-[(3R)-4-[2-(6-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen
• SMILES: C[C@@H]1CN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CCN1C(=O)Cn1ccc2ccc(Cl)cc21.C[C@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nc(C(F)(F)F)ns3)cc2)CC1)N1CCCc2cc(Cl)ccc21.Cc1nc(C)c(Cl)c(NS(=O)(=O)c2ccc(N3CCN(C(=O)[C@@H](C)N4CCCc5cc(Cl)ccc54)CC3)cc2)n1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C28H32Cl2N6O3S.C25H26ClF3N6O3S2.C25H25ClN6O3S.6H2/c1-18-26(30)27(32-20(3)31-18)33-40(38,39)24-9-7-23(8-10-24)34-13-15-35(16-14-34)28(37)19(2)36-12-4-5-21-17-22(29)6-11-25(21)36;1-16(35-10-2-3-17-15-18(26)4-9-21(17)35)22(36)34-13-11-33(12-14-34)19-5-7-20(8-6-19)40(37,38)32-24-30-23(31-39-24)25(27,28)29;1-18-15-30(21-4-6-22(7-5-21)36(34,35)29-24-8-10-27-17-28-24)12-13-32(18)25(33)16-31-11-9-19-2-3-20(26)14-23(19)31;;;;;;/h6-11,17,19H,4-5,12-16H2,1-3H3,(H,31,32,33);4-9,15-16H,2-3,10-14H2,1H3,(H,30,31,32);2-11,14,17-18H,12-13,15-16H2,1H3,(H,27,28,29);6*1H/t19-;16-;18-;;;;;;/m111....../s1
• InChIKey: VDXLFMGTYFNRAP-WPXUSGTBSA-N
• XLogP: 14.29
• TPSA: 297.91 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 18
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1755.81
LogP ≤ 5	14.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(5-chloro-2,6-dimethylpyrimidin-4-yl)benzenesulfonamide;4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide;4-[(3R)-4-[2-(6-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen?

The IUPAC name of 4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(5-chloro-2,6-dimethylpyrimidin-4-yl)benzenesulfonamide;4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide;4-[(3R)-4-[2-(6-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen (CID 161271771) is 4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(5-chloro-2,6-dimethylpyrimidin-4-yl)benzenesulfonamide;4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide;4-[(3R)-4-[2-(6-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen.

What is the SMILES notation for 4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(5-chloro-2,6-dimethylpyrimidin-4-yl)benzenesulfonamide;4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide;4-[(3R)-4-[2-(6-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen?

The canonical SMILES for 4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(5-chloro-2,6-dimethylpyrimidin-4-yl)benzenesulfonamide;4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide;4-[(3R)-4-[2-(6-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen is C[C@@H]1CN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CCN1C(=O)Cn1ccc2ccc(Cl)cc21.C[C@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nc(C(F)(F)F)ns3)cc2)CC1)N1CCCc2cc(Cl)ccc21.Cc1nc(C)c(Cl)c(NS(=O)(=O)c2ccc(N3CCN(C(=O)[C@@H](C)N4CCCc5cc(Cl)ccc54)CC3)cc2)n1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(5-chloro-2,6-dimethylpyrimidin-4-yl)benzenesulfonamide;4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide;4-[(3R)-4-[2-(6-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen?

The InChIKey is VDXLFMGTYFNRAP-WPXUSGTBSA-N. The full InChI is InChI=1S/C28H32Cl2N6O3S.C25H26ClF3N6O3S2.C25H25ClN6O3S.6H2/c1-18-26(30)27(32-20(3)31-18)33-40(38,39)24-9-7-23(8-10-24)34-13-15-35(16-14-34)28(37)19(2)36-12-4-5-21-17-22(29)6-11-25(21)36;1-16(35-10-2-3-17-15-18(26)4-9-21(17)35)22(36)34-13-11-33(12-14-34)19-5-7-20(8-6-19)40(37,38)32-24-30-23(31-39-24)25(27,28)29;1-18-15-30(21-4-6-22(7-5-21)36(34,35)29-24-8-10-27-17-28-24)12-13-32(18)25(33)16-31-11-9-19-2-3-20(26)14-23(19)31;;;;;;/h6-11,17,19H,4-5,12-16H2,1-3H3,(H,31,32,33);4-9,15-16H,2-3,10-14H2,1H3,(H,30,31,32);2-11,14,17-18H,12-13,15-16H2,1H3,(H,27,28,29);6*1H/t19-;16-;18-;;;;;;/m111....../s1.

What are the key properties of 4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(5-chloro-2,6-dimethylpyrimidin-4-yl)benzenesulfonamide;4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide;4-[(3R)-4-[2-(6-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen?

4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(5-chloro-2,6-dimethylpyrimidin-4-yl)benzenesulfonamide;4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide;4-[(3R)-4-[2-(6-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen has a molecular weight of 1755.81 g/mol, XLogP of 14.29, 18 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(5-chloro-2,6-dimethylpyrimidin-4-yl)benzenesulfonamide;4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide;4-[(3R)-4-[2-(6-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 161271771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).