4-bromo-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3R)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(3R)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)pyrrolidin-2-one;methane

C45H47BrCl2N8O6S4 — CID 159512133

About 4-bromo-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3R)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(3R)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)pyrrolidin-2-one;methane

4-bromo-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3R)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(3R)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)pyrrolidin-2-one;methane (PubChem CID 159512133) has the molecular formula C45H47BrCl2N8O6S4 and a molecular weight of 1075.00 g/mol. Its IUPAC name is 4-bromo-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3R)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(3R)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)pyrrolidin-2-one;methane.

Molecular Properties

• Compound Name: 4-bromo-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3R)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(3R)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)pyrrolidin-2-one;methane
• PubChem CID: 159512133
• Molecular Formula: C45H47BrCl2N8O6S4
• Molecular Weight: 1075.00 g/mol
• Exact Mass: 1072.11
• IUPAC Name: 4-bromo-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3R)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(3R)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)pyrrolidin-2-one;methane
• SMILES: C.O=C1NCC[C@H]1N1CCCc2cc(Cl)ccc21.O=C1[C@H](N2CCCc3cc(Cl)ccc32)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.O=S(=O)(Nc1nccs1)c1ccc(Br)cc1
• InChI: InChI=1S/C22H21ClN4O3S2.C13H15ClN2O.C9H7BrN2O2S2.CH4/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;14-10-3-4-11-9(8-10)2-1-7-16(11)12-5-6-15-13(12)17;10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9;/h3-8,10,13-14,20H,1-2,9,11-12H2,(H,24,25);3-4,8,12H,1-2,5-7H2,(H,15,17);1-6H,(H,11,12);1H4/t20-;12-;;/m11../s1
• InChIKey: MASUAVYOGIOKDE-JSGYSENJSA-N
• XLogP: 9.48
• TPSA: 174.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1075.00
LogP ≤ 5	9.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

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

The IUPAC name of 4-bromo-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3R)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(3R)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)pyrrolidin-2-one;methane (CID 159512133) is 4-bromo-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3R)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(3R)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)pyrrolidin-2-one;methane.

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

The canonical SMILES for 4-bromo-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3R)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(3R)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)pyrrolidin-2-one;methane is C.O=C1NCC[C@H]1N1CCCc2cc(Cl)ccc21.O=C1[C@H](N2CCCc3cc(Cl)ccc32)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.O=S(=O)(Nc1nccs1)c1ccc(Br)cc1.

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

The InChIKey is MASUAVYOGIOKDE-JSGYSENJSA-N. The full InChI is InChI=1S/C22H21ClN4O3S2.C13H15ClN2O.C9H7BrN2O2S2.CH4/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;14-10-3-4-11-9(8-10)2-1-7-16(11)12-5-6-15-13(12)17;10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9;/h3-8,10,13-14,20H,1-2,9,11-12H2,(H,24,25);3-4,8,12H,1-2,5-7H2,(H,15,17);1-6H,(H,11,12);1H4/t20-;12-;;/m11../s1.

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

4-bromo-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3R)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(3R)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)pyrrolidin-2-one;methane has a molecular weight of 1075.00 g/mol, XLogP of 9.48, 9 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3R)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(3R)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)pyrrolidin-2-one;methane is sourced from PubChem (CID 159512133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).