4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(6-methylpyrimidin-4-yl)benzenesulfonamide;4-[(3S)-4-[2-(3-chloro-4-fluorophenoxy)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[2-(5-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen

C74H89Cl2F2N15O10S5 — CID 158115776

About 4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(6-methylpyrimidin-4-yl)benzenesulfonamide;4-[(3S)-4-[2-(3-chloro-4-fluorophenoxy)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[2-(5-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen

4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(6-methylpyrimidin-4-yl)benzenesulfonamide;4-[(3S)-4-[2-(3-chloro-4-fluorophenoxy)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[2-(5-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen (PubChem CID 158115776) has the molecular formula C74H89Cl2F2N15O10S5 and a molecular weight of 1617.86 g/mol. Its IUPAC name is 4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(6-methylpyrimidin-4-yl)benzenesulfonamide;4-[(3S)-4-[2-(3-chloro-4-fluorophenoxy)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[2-(5-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen.

Molecular Properties

• Compound Name: 4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(6-methylpyrimidin-4-yl)benzenesulfonamide;4-[(3S)-4-[2-(3-chloro-4-fluorophenoxy)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[2-(5-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
• PubChem CID: 158115776
• Molecular Formula: C74H89Cl2F2N15O10S5
• Molecular Weight: 1617.86 g/mol
• Exact Mass: 1615.49
• IUPAC Name: 4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(6-methylpyrimidin-4-yl)benzenesulfonamide;4-[(3S)-4-[2-(3-chloro-4-fluorophenoxy)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[2-(5-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
• SMILES: CC(C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C[C@@H]1C)n1ccc2cc(F)ccc21.C[C@H]1CN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CCN1C(=O)COc1ccc(F)c(Cl)c1.Cc1cc(NS(=O)(=O)c2ccc(N3CCN(C(=O)[C@@H](C)N4CCCc5cc(Cl)ccc54)CC3)cc2)ncn1.[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C27H31ClN6O3S.C25H26FN5O3S2.C22H22ClFN4O4S2.5H2/c1-19-16-26(30-18-29-19)31-38(36,37)24-8-6-23(7-9-24)32-12-14-33(15-13-32)27(35)20(2)34-11-3-4-21-17-22(28)5-10-25(21)34;1-17-16-29(21-4-6-22(7-5-21)36(33,34)28-25-27-10-14-35-25)12-13-30(17)24(32)18(2)31-11-9-19-15-20(26)3-8-23(19)31;1-15-13-27(9-10-28(15)21(29)14-32-17-4-7-20(24)19(23)12-17)16-2-5-18(6-3-16)34(30,31)26-22-25-8-11-33-22;;;;;/h5-10,16-18,20H,3-4,11-15H2,1-2H3,(H,29,30,31);3-11,14-15,17-18H,12-13,16H2,1-2H3,(H,27,28);2-8,11-12,15H,9-10,13-14H2,1H3,(H,25,26);5*1H/t20-;17-,18?;15-;;;;;/m100...../s1
• InChIKey: FQZGQAZJIHCCCO-VPIXFPILSA-N
• XLogP: 13.15
• TPSA: 278.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 19
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1617.86
LogP ≤ 5	13.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

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-(6-methylpyrimidin-4-yl)benzenesulfonamide;4-[(3S)-4-[2-(3-chloro-4-fluorophenoxy)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[2-(5-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

The IUPAC name of 4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(6-methylpyrimidin-4-yl)benzenesulfonamide;4-[(3S)-4-[2-(3-chloro-4-fluorophenoxy)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[2-(5-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen (CID 158115776) is 4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(6-methylpyrimidin-4-yl)benzenesulfonamide;4-[(3S)-4-[2-(3-chloro-4-fluorophenoxy)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[2-(5-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;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-(6-methylpyrimidin-4-yl)benzenesulfonamide;4-[(3S)-4-[2-(3-chloro-4-fluorophenoxy)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[2-(5-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

The canonical SMILES for 4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(6-methylpyrimidin-4-yl)benzenesulfonamide;4-[(3S)-4-[2-(3-chloro-4-fluorophenoxy)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[2-(5-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen is CC(C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C[C@@H]1C)n1ccc2cc(F)ccc21.C[C@H]1CN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CCN1C(=O)COc1ccc(F)c(Cl)c1.Cc1cc(NS(=O)(=O)c2ccc(N3CCN(C(=O)[C@@H](C)N4CCCc5cc(Cl)ccc54)CC3)cc2)ncn1.[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-(6-methylpyrimidin-4-yl)benzenesulfonamide;4-[(3S)-4-[2-(3-chloro-4-fluorophenoxy)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[2-(5-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

The InChIKey is FQZGQAZJIHCCCO-VPIXFPILSA-N. The full InChI is InChI=1S/C27H31ClN6O3S.C25H26FN5O3S2.C22H22ClFN4O4S2.5H2/c1-19-16-26(30-18-29-19)31-38(36,37)24-8-6-23(7-9-24)32-12-14-33(15-13-32)27(35)20(2)34-11-3-4-21-17-22(28)5-10-25(21)34;1-17-16-29(21-4-6-22(7-5-21)36(33,34)28-25-27-10-14-35-25)12-13-30(17)24(32)18(2)31-11-9-19-15-20(26)3-8-23(19)31;1-15-13-27(9-10-28(15)21(29)14-32-17-4-7-20(24)19(23)12-17)16-2-5-18(6-3-16)34(30,31)26-22-25-8-11-33-22;;;;;/h5-10,16-18,20H,3-4,11-15H2,1-2H3,(H,29,30,31);3-11,14-15,17-18H,12-13,16H2,1-2H3,(H,27,28);2-8,11-12,15H,9-10,13-14H2,1H3,(H,25,26);5*1H/t20-;17-,18?;15-;;;;;/m100...../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-(6-methylpyrimidin-4-yl)benzenesulfonamide;4-[(3S)-4-[2-(3-chloro-4-fluorophenoxy)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[2-(5-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(6-methylpyrimidin-4-yl)benzenesulfonamide;4-[(3S)-4-[2-(3-chloro-4-fluorophenoxy)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[2-(5-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen has a molecular weight of 1617.86 g/mol, XLogP of 13.15, 19 rotatable bonds, 3 hydrogen bond donors, and 21 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-(6-methylpyrimidin-4-yl)benzenesulfonamide;4-[(3S)-4-[2-(3-chloro-4-fluorophenoxy)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[2-(5-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 158115776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).