4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(2-chloro-5-methylpyrimidin-4-yl)benzenesulfonamide;4-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(3,4-dichloroanilino)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen

C71H85Cl5FN17O10S4 — CID 158107940

About 4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(2-chloro-5-methylpyrimidin-4-yl)benzenesulfonamide;4-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(3,4-dichloroanilino)propanoyl]piperazin-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-(2-chloro-5-methylpyrimidin-4-yl)benzenesulfonamide;4-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(3,4-dichloroanilino)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen (PubChem CID 158107940) has the molecular formula C71H85Cl5FN17O10S4 and a molecular weight of 1661.10 g/mol. Its IUPAC name is 4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(2-chloro-5-methylpyrimidin-4-yl)benzenesulfonamide;4-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(3,4-dichloroanilino)propanoyl]piperazin-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-(2-chloro-5-methylpyrimidin-4-yl)benzenesulfonamide;4-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(3,4-dichloroanilino)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen
• PubChem CID: 158107940
• Molecular Formula: C71H85Cl5FN17O10S4
• Molecular Weight: 1661.10 g/mol
• Exact Mass: 1657.40
• IUPAC Name: 4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(2-chloro-5-methylpyrimidin-4-yl)benzenesulfonamide;4-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(3,4-dichloroanilino)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen
• SMILES: CC(Nc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.Cc1cnc(Cl)nc1NS(=O)(=O)c1ccc(N2CCN(C(=O)[C@@H](C)N3CCCc4cc(Cl)ccc43)CC2)cc1.Cc1nsc(NS(=O)(=O)c2ccc(N3CCN(C(=O)COc4ccc(F)c(Cl)c4)CC3)cc2)n1.[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C27H30Cl2N6O3S.C23H24Cl2N6O3S.C21H21ClFN5O4S2.5H2/c1-18-17-30-27(29)31-25(18)32-39(37,38)23-8-6-22(7-9-23)33-12-14-34(15-13-33)26(36)19(2)35-11-3-4-20-16-21(28)5-10-24(20)35;1-16(28-17-2-7-20(24)21(25)14-17)23(32)31-12-10-30(11-13-31)18-3-5-19(6-4-18)35(33,34)29-22-8-9-26-15-27-22;1-14-24-21(33-25-14)26-34(30,31)17-5-2-15(3-6-17)27-8-10-28(11-9-27)20(29)13-32-16-4-7-19(23)18(22)12-16;;;;;/h5-10,16-17,19H,3-4,11-15H2,1-2H3,(H,30,31,32);2-9,14-16,28H,10-13H2,1H3,(H,26,27,29);2-7,12H,8-11,13H2,1H3,(H,24,25,26);5*1H/t19-;;;;;;;/m1......./s1
• InChIKey: FQBKCQCYQOWOMY-FKZBUNKQSA-N
• XLogP: 12.51
• TPSA: 311.00 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 20
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1661.10
LogP ≤ 5	12.51
H-Bond Donors ≤ 5	4
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-(2-chloro-5-methylpyrimidin-4-yl)benzenesulfonamide;4-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(3,4-dichloroanilino)propanoyl]piperazin-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-(2-chloro-5-methylpyrimidin-4-yl)benzenesulfonamide;4-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(3,4-dichloroanilino)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen (CID 158107940) is 4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(2-chloro-5-methylpyrimidin-4-yl)benzenesulfonamide;4-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(3,4-dichloroanilino)propanoyl]piperazin-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-(2-chloro-5-methylpyrimidin-4-yl)benzenesulfonamide;4-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(3,4-dichloroanilino)propanoyl]piperazin-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-(2-chloro-5-methylpyrimidin-4-yl)benzenesulfonamide;4-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(3,4-dichloroanilino)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen is CC(Nc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.Cc1cnc(Cl)nc1NS(=O)(=O)c1ccc(N2CCN(C(=O)[C@@H](C)N3CCCc4cc(Cl)ccc43)CC2)cc1.Cc1nsc(NS(=O)(=O)c2ccc(N3CCN(C(=O)COc4ccc(F)c(Cl)c4)CC3)cc2)n1.[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-(2-chloro-5-methylpyrimidin-4-yl)benzenesulfonamide;4-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(3,4-dichloroanilino)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen?

The InChIKey is FQBKCQCYQOWOMY-FKZBUNKQSA-N. The full InChI is InChI=1S/C27H30Cl2N6O3S.C23H24Cl2N6O3S.C21H21ClFN5O4S2.5H2/c1-18-17-30-27(29)31-25(18)32-39(37,38)23-8-6-22(7-9-23)33-12-14-34(15-13-33)26(36)19(2)35-11-3-4-20-16-21(28)5-10-24(20)35;1-16(28-17-2-7-20(24)21(25)14-17)23(32)31-12-10-30(11-13-31)18-3-5-19(6-4-18)35(33,34)29-22-8-9-26-15-27-22;1-14-24-21(33-25-14)26-34(30,31)17-5-2-15(3-6-17)27-8-10-28(11-9-27)20(29)13-32-16-4-7-19(23)18(22)12-16;;;;;/h5-10,16-17,19H,3-4,11-15H2,1-2H3,(H,30,31,32);2-9,14-16,28H,10-13H2,1H3,(H,26,27,29);2-7,12H,8-11,13H2,1H3,(H,24,25,26);5*1H/t19-;;;;;;;/m1......./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-(2-chloro-5-methylpyrimidin-4-yl)benzenesulfonamide;4-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(3,4-dichloroanilino)propanoyl]piperazin-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-(2-chloro-5-methylpyrimidin-4-yl)benzenesulfonamide;4-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(3,4-dichloroanilino)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen has a molecular weight of 1661.10 g/mol, XLogP of 12.51, 20 rotatable bonds, 4 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-(2-chloro-5-methylpyrimidin-4-yl)benzenesulfonamide;4-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(3,4-dichloroanilino)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 158107940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).