4-[(3R)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzenesulfonamide

C23H20ClF3N4O3S2 — CID 58215177

About 4-[(3R)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzenesulfonamide

4-[(3R)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzenesulfonamide (PubChem CID 58215177) has the molecular formula C23H20ClF3N4O3S2 and a molecular weight of 557.02 g/mol. Its IUPAC name is 4-[(3R)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzenesulfonamide.

Molecular Properties

• Compound Name: 4-[(3R)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzenesulfonamide
• PubChem CID: 58215177
• Molecular Formula: C23H20ClF3N4O3S2
• Molecular Weight: 557.02 g/mol
• Exact Mass: 556.06
• IUPAC Name: 4-[(3R)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzenesulfonamide
• SMILES: O=C1[C@H](N2CCCc3cc(Cl)ccc32)CCN1c1ccc(S(=O)(=O)Nc2nc(C(F)(F)F)cs2)cc1
• InChI: InChI=1S/C23H20ClF3N4O3S2/c24-15-3-8-18-14(12-15)2-1-10-31(18)19-9-11-30(21(19)32)16-4-6-17(7-5-16)36(33,34)29-22-28-20(13-35-22)23(25,26)27/h3-8,12-13,19H,1-2,9-11H2,(H,28,29)/t19-/m1/s1
• InChIKey: BOWOPCXAOKKSHO-LJQANCHMSA-N
• XLogP: 5.17
• TPSA: 82.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	557.02
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzenesulfonamide?

The IUPAC name of 4-[(3R)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzenesulfonamide (CID 58215177) is 4-[(3R)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzenesulfonamide.

What is the SMILES notation for 4-[(3R)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzenesulfonamide?

The canonical SMILES for 4-[(3R)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzenesulfonamide is O=C1[C@H](N2CCCc3cc(Cl)ccc32)CCN1c1ccc(S(=O)(=O)Nc2nc(C(F)(F)F)cs2)cc1.

What is the InChIKey of 4-[(3R)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzenesulfonamide?

The InChIKey is BOWOPCXAOKKSHO-LJQANCHMSA-N. The full InChI is InChI=1S/C23H20ClF3N4O3S2/c24-15-3-8-18-14(12-15)2-1-10-31(18)19-9-11-30(21(19)32)16-4-6-17(7-5-16)36(33,34)29-22-28-20(13-35-22)23(25,26)27/h3-8,12-13,19H,1-2,9-11H2,(H,28,29)/t19-/m1/s1.

What are the key properties of 4-[(3R)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzenesulfonamide?

4-[(3R)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzenesulfonamide has a molecular weight of 557.02 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3R)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 58215177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).