4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(5-methoxyindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen

C76H88F2N16O11S5 — CID 158391476

About 4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(5-methoxyindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen

4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(5-methoxyindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen (PubChem CID 158391476) has the molecular formula C76H88F2N16O11S5 and a molecular weight of 1599.97 g/mol. Its IUPAC name is 4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(5-methoxyindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen.

Molecular Properties

• Compound Name: 4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(5-methoxyindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
• PubChem CID: 158391476
• Molecular Formula: C76H88F2N16O11S5
• Molecular Weight: 1599.97 g/mol
• Exact Mass: 1598.54
• IUPAC Name: 4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(5-methoxyindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
• SMILES: CC(C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1)n1ccc2c(F)cccc21.COc1ccc2c(ccn2C(C)C(=O)N2CCN(c3ccc(S(=O)(=O)Nc4nccs4)cc3)C(=O)C2)c1.Cc1csc(NS(=O)(=O)c2ccc(N3CCN(C(=O)[C@@H](C)N4CCCc5cc(F)ccc54)CC3)cc2)n1.[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C26H30FN5O3S2.C25H25FN6O3S.C25H25N5O5S2.4H2/c1-18-17-36-26(28-18)29-37(34,35)23-8-6-22(7-9-23)30-12-14-31(15-13-30)25(33)19(2)32-11-3-4-20-16-21(27)5-10-24(20)32;1-18(32-12-10-21-22(26)3-2-4-23(21)32)25(33)31-15-13-30(14-16-31)19-5-7-20(8-6-19)36(34,35)29-24-9-11-27-17-28-24;1-17(29-11-9-18-15-20(35-2)5-8-22(18)29)24(32)28-12-13-30(23(31)16-28)19-3-6-21(7-4-19)37(33,34)27-25-26-10-14-36-25;;;;/h5-10,16-17,19H,3-4,11-15H2,1-2H3,(H,28,29);2-12,17-18H,13-16H2,1H3,(H,27,28,29);3-11,14-15,17H,12-13,16H2,1-2H3,(H,26,27);4*1H/t19-;;;;;;/m1....../s1
• InChIKey: GXAAUIVUYLUABS-JHBGECILSA-N
• XLogP: 11.49
• TPSA: 300.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 19
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1599.97
LogP ≤ 5	11.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(5-methoxyindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

The IUPAC name of 4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(5-methoxyindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen (CID 158391476) is 4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(5-methoxyindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen.

What is the SMILES notation for 4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(5-methoxyindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

The canonical SMILES for 4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(5-methoxyindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen is CC(C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1)n1ccc2c(F)cccc21.COc1ccc2c(ccn2C(C)C(=O)N2CCN(c3ccc(S(=O)(=O)Nc4nccs4)cc3)C(=O)C2)c1.Cc1csc(NS(=O)(=O)c2ccc(N3CCN(C(=O)[C@@H](C)N4CCCc5cc(F)ccc54)CC3)cc2)n1.[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(5-methoxyindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

The InChIKey is GXAAUIVUYLUABS-JHBGECILSA-N. The full InChI is InChI=1S/C26H30FN5O3S2.C25H25FN6O3S.C25H25N5O5S2.4H2/c1-18-17-36-26(28-18)29-37(34,35)23-8-6-22(7-9-23)30-12-14-31(15-13-30)25(33)19(2)32-11-3-4-20-16-21(27)5-10-24(20)32;1-18(32-12-10-21-22(26)3-2-4-23(21)32)25(33)31-15-13-30(14-16-31)19-5-7-20(8-6-19)36(34,35)29-24-9-11-27-17-28-24;1-17(29-11-9-18-15-20(35-2)5-8-22(18)29)24(32)28-12-13-30(23(31)16-28)19-3-6-21(7-4-19)37(33,34)27-25-26-10-14-36-25;;;;/h5-10,16-17,19H,3-4,11-15H2,1-2H3,(H,28,29);2-12,17-18H,13-16H2,1H3,(H,27,28,29);3-11,14-15,17H,12-13,16H2,1-2H3,(H,26,27);4*1H/t19-;;;;;;/m1....../s1.

What are the key properties of 4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(5-methoxyindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(5-methoxyindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen has a molecular weight of 1599.97 g/mol, XLogP of 11.49, 19 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-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(5-methoxyindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 158391476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).