4-[4-[(2S)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide

C26H30ClN5O3S2 — CID 58215076

About 4-[4-[(2S)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide

4-[4-[(2S)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 58215076) has the molecular formula C26H30ClN5O3S2 and a molecular weight of 560.15 g/mol. Its IUPAC name is 4-[4-[(2S)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

• Compound Name: 4-[4-[(2S)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
• PubChem CID: 58215076
• Molecular Formula: C26H30ClN5O3S2
• Molecular Weight: 560.15 g/mol
• Exact Mass: 559.15
• IUPAC Name: 4-[4-[(2S)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
• SMILES: Cc1cnc(NS(=O)(=O)c2ccc(N3CCN(C(=O)[C@H](C)N4CCCc5cc(Cl)ccc54)CC3)cc2)s1
• InChI: InChI=1S/C26H30ClN5O3S2/c1-18-17-28-26(36-18)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-/m0/s1
• InChIKey: WGMFMWIKOLAFLL-IBGZPJMESA-N
• XLogP: 4.40
• 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	560.15
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2S)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?

The IUPAC name of 4-[4-[(2S)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide (CID 58215076) is 4-[4-[(2S)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide.

What is the SMILES notation for 4-[4-[(2S)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?

The canonical SMILES for 4-[4-[(2S)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide is Cc1cnc(NS(=O)(=O)c2ccc(N3CCN(C(=O)[C@H](C)N4CCCc5cc(Cl)ccc54)CC3)cc2)s1.

What is the InChIKey of 4-[4-[(2S)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?

The InChIKey is WGMFMWIKOLAFLL-IBGZPJMESA-N. The full InChI is InChI=1S/C26H30ClN5O3S2/c1-18-17-28-26(36-18)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-/m0/s1.

What are the key properties of 4-[4-[(2S)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?

4-[4-[(2S)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 560.15 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[(2S)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 58215076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).