N-(4-bromo-2-fluorophenyl)-2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]acetamide

C19H15BrClFN2O4S2 — CID 53043477

About N-(4-bromo-2-fluorophenyl)-2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]acetamide

N-(4-bromo-2-fluorophenyl)-2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]acetamide (PubChem CID 53043477) has the molecular formula C19H15BrClFN2O4S2 and a molecular weight of 533.83 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-(4-bromo-2-fluorophenyl)-2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]acetamide
• PubChem CID: 53043477
• Molecular Formula: C19H15BrClFN2O4S2
• Molecular Weight: 533.83 g/mol
• Exact Mass: 531.93
• IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]acetamide
• SMILES: Cc1cc(C)n(CC(=O)Nc2ccc(Br)cc2F)c(=O)c1S(=O)(=O)c1ccc(Cl)s1
• InChI: InChI=1S/C19H15BrClFN2O4S2/c1-10-7-11(2)24(9-16(25)23-14-4-3-12(20)8-13(14)22)19(26)18(10)30(27,28)17-6-5-15(21)29-17/h3-8H,9H2,1-2H3,(H,23,25)
• InChIKey: RRSNQIDFBAZMQI-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 85.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.83
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]acetamide?

The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]acetamide (CID 53043477) is N-(4-bromo-2-fluorophenyl)-2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]acetamide.

What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]acetamide?

The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]acetamide is Cc1cc(C)n(CC(=O)Nc2ccc(Br)cc2F)c(=O)c1S(=O)(=O)c1ccc(Cl)s1.

What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]acetamide?

The InChIKey is RRSNQIDFBAZMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrClFN2O4S2/c1-10-7-11(2)24(9-16(25)23-14-4-3-12(20)8-13(14)22)19(26)18(10)30(27,28)17-6-5-15(21)29-17/h3-8H,9H2,1-2H3,(H,23,25).

What are the key properties of N-(4-bromo-2-fluorophenyl)-2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]acetamide?

N-(4-bromo-2-fluorophenyl)-2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]acetamide has a molecular weight of 533.83 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-bromo-2-fluorophenyl)-2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 53043477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).