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

C26H30FN5O3S2 — CID 59465874

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-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 59465874) has the molecular formula C26H30FN5O3S2 and a molecular weight of 543.69 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.

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
• PubChem CID: 59465874
• Molecular Formula: C26H30FN5O3S2
• Molecular Weight: 543.69 g/mol
• Exact Mass: 543.18
• 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
• SMILES: Cc1csc(NS(=O)(=O)c2ccc(N3CCN(C(=O)[C@@H](C)N4CCCc5cc(F)ccc54)CC3)cc2)n1
• InChI: InChI=1S/C26H30FN5O3S2/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/h5-10,16-17,19H,3-4,11-15H2,1-2H3,(H,28,29)/t19-/m1/s1
• InChIKey: IGSNUOMSKHTSTM-LJQANCHMSA-N
• XLogP: 3.88
• TPSA: 85.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.69
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

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?

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 (CID 59465874) 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.

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?

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 is Cc1csc(NS(=O)(=O)c2ccc(N3CCN(C(=O)[C@@H](C)N4CCCc5cc(F)ccc54)CC3)cc2)n1.

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?

The InChIKey is IGSNUOMSKHTSTM-LJQANCHMSA-N. The full InChI is InChI=1S/C26H30FN5O3S2/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/h5-10,16-17,19H,3-4,11-15H2,1-2H3,(H,28,29)/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-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 543.69 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 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 is sourced from PubChem (CID 59465874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).