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

C41H39Cl3N6O6S3 — CID 157151568

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

4-[3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]benzenesulfonyl chloride;4-[3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 157151568) has the molecular formula C41H39Cl3N6O6S3 and a molecular weight of 914.36 g/mol. Its IUPAC name is 4-[3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]benzenesulfonyl chloride;4-[3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

• Compound Name: 4-[3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]benzenesulfonyl chloride;4-[3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
• PubChem CID: 157151568
• Molecular Formula: C41H39Cl3N6O6S3
• Molecular Weight: 914.36 g/mol
• Exact Mass: 912.12
• IUPAC Name: 4-[3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]benzenesulfonyl chloride;4-[3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
• SMILES: O=C1C(N2CCCc3cc(Cl)ccc32)CCN1c1ccc(S(=O)(=O)Cl)cc1.O=C1C(N2CCCc3cc(Cl)ccc32)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1
• InChI: InChI=1S/C22H21ClN4O3S2.C19H18Cl2N2O3S/c23-16-3-8-19-15(14-16)2-1-11-27(19)20-9-12-26(21(20)28)17-4-6-18(7-5-17)32(29,30)25-22-24-10-13-31-22;20-14-3-8-17-13(12-14)2-1-10-23(17)18-9-11-22(19(18)24)15-4-6-16(7-5-15)27(21,25)26/h3-8,10,13-14,20H,1-2,9,11-12H2,(H,24,25);3-8,12,18H,1-2,9-11H2
• InChIKey: ALHURXJXYPRGHB-UHFFFAOYSA-N
• XLogP: 7.98
• TPSA: 140.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	914.36
LogP ≤ 5	7.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 4-[3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]benzenesulfonyl chloride;4-[3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 157151568) is 4-[3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]benzenesulfonyl chloride;4-[3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

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

The canonical SMILES for 4-[3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]benzenesulfonyl chloride;4-[3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is O=C1C(N2CCCc3cc(Cl)ccc32)CCN1c1ccc(S(=O)(=O)Cl)cc1.O=C1C(N2CCCc3cc(Cl)ccc32)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.

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

The InChIKey is ALHURXJXYPRGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O3S2.C19H18Cl2N2O3S/c23-16-3-8-19-15(14-16)2-1-11-27(19)20-9-12-26(21(20)28)17-4-6-18(7-5-17)32(29,30)25-22-24-10-13-31-22;20-14-3-8-17-13(12-14)2-1-10-23(17)18-9-11-22(19(18)24)15-4-6-16(7-5-15)27(21,25)26/h3-8,10,13-14,20H,1-2,9,11-12H2,(H,24,25);3-8,12,18H,1-2,9-11H2.

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

4-[3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]benzenesulfonyl chloride;4-[3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 914.36 g/mol, XLogP of 7.98, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]benzenesulfonyl chloride;4-[3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 157151568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).