4-[3-(5,7-dichloroquinolin-8-yl)oxy-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen

C22H18Cl2N4O4S2 — CID 159642068

About 4-[3-(5,7-dichloroquinolin-8-yl)oxy-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen

4-[3-(5,7-dichloroquinolin-8-yl)oxy-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen (PubChem CID 159642068) has the molecular formula C22H18Cl2N4O4S2 and a molecular weight of 537.45 g/mol. Its IUPAC name is 4-[3-(5,7-dichloroquinolin-8-yl)oxy-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen.

Molecular Properties

• Compound Name: 4-[3-(5,7-dichloroquinolin-8-yl)oxy-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
• PubChem CID: 159642068
• Molecular Formula: C22H18Cl2N4O4S2
• Molecular Weight: 537.45 g/mol
• Exact Mass: 536.01
• IUPAC Name: 4-[3-(5,7-dichloroquinolin-8-yl)oxy-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
• SMILES: O=C1C(Oc2c(Cl)cc(Cl)c3cccnc23)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.[H][H]
• InChI: InChI=1S/C22H16Cl2N4O4S2.H2/c23-16-12-17(24)20(19-15(16)2-1-8-25-19)32-18-7-10-28(21(18)29)13-3-5-14(6-4-13)34(30,31)27-22-26-9-11-33-22;/h1-6,8-9,11-12,18H,7,10H2,(H,26,27);1H
• InChIKey: MQMGGYOCFMRCFB-UHFFFAOYSA-N
• XLogP: 5.23
• TPSA: 101.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	537.45
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5,7-dichloroquinolin-8-yl)oxy-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

The IUPAC name of 4-[3-(5,7-dichloroquinolin-8-yl)oxy-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen (CID 159642068) is 4-[3-(5,7-dichloroquinolin-8-yl)oxy-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen.

What is the SMILES notation for 4-[3-(5,7-dichloroquinolin-8-yl)oxy-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

The canonical SMILES for 4-[3-(5,7-dichloroquinolin-8-yl)oxy-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen is O=C1C(Oc2c(Cl)cc(Cl)c3cccnc23)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.[H][H].

What is the InChIKey of 4-[3-(5,7-dichloroquinolin-8-yl)oxy-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

The InChIKey is MQMGGYOCFMRCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N4O4S2.H2/c23-16-12-17(24)20(19-15(16)2-1-8-25-19)32-18-7-10-28(21(18)29)13-3-5-14(6-4-13)34(30,31)27-22-26-9-11-33-22;/h1-6,8-9,11-12,18H,7,10H2,(H,26,27);1H.

What are the key properties of 4-[3-(5,7-dichloroquinolin-8-yl)oxy-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

4-[3-(5,7-dichloroquinolin-8-yl)oxy-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen has a molecular weight of 537.45 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(5,7-dichloroquinolin-8-yl)oxy-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 159642068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).