2-(4-fluorophenyl)sulfonyl-N-(1-methyl-6-oxo-3-pyridinyl)propanamide

C15H15FN2O4S — CID 75461904

IUPAC2-(4-fluorophenyl)sulfonyl-N-(1-methyl-6-oxo-3-pyridinyl)propanamide
SMILESCC(C(=O)Nc1ccc(=O)n(C)c1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H15FN2O4S/c1-10(23(21,22)13-6-3-11(16)4-7-13)15(20)17-12-5-8-14(19)18(2)9-12/h3-10H,1-2H3,(H,17,20)
InChIKeyDQZWDWAMEWTDPC-UHFFFAOYSA-N
MW338.36 g/mol
LogP1.33
Rot. Bonds4

About 2-(4-fluorophenyl)sulfonyl-N-(1-methyl-6-oxo-3-pyridinyl)propanamide

2-(4-fluorophenyl)sulfonyl-N-(1-methyl-6-oxo-3-pyridinyl)propanamide (PubChem CID 75461904) has the molecular formula C15H15FN2O4S and a molecular weight of 338.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfonyl-N-(1-methyl-6-oxo-3-pyridinyl)propanamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfonyl-N-(1-methyl-6-oxo-3-pyridinyl)propanamide
PubChem CID75461904
Molecular FormulaC15H15FN2O4S
Molecular Weight338.36 g/mol
Exact Mass338.07
IUPAC Name2-(4-fluorophenyl)sulfonyl-N-(1-methyl-6-oxo-3-pyridinyl)propanamide
SMILESCC(C(=O)Nc1ccc(=O)n(C)c1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H15FN2O4S/c1-10(23(21,22)13-6-3-11(16)4-7-13)15(20)17-12-5-8-14(19)18(2)9-12/h3-10H,1-2H3,(H,17,20)
InChIKeyDQZWDWAMEWTDPC-UHFFFAOYSA-N
XLogP1.33
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfonyl-N-(1-methyl-6-oxo-3-pyridinyl)propanamide?
The IUPAC name of 2-(4-fluorophenyl)sulfonyl-N-(1-methyl-6-oxo-3-pyridinyl)propanamide (CID 75461904) is 2-(4-fluorophenyl)sulfonyl-N-(1-methyl-6-oxo-3-pyridinyl)propanamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfonyl-N-(1-methyl-6-oxo-3-pyridinyl)propanamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfonyl-N-(1-methyl-6-oxo-3-pyridinyl)propanamide is CC(C(=O)Nc1ccc(=O)n(C)c1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfonyl-N-(1-methyl-6-oxo-3-pyridinyl)propanamide?
The InChIKey is DQZWDWAMEWTDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O4S/c1-10(23(21,22)13-6-3-11(16)4-7-13)15(20)17-12-5-8-14(19)18(2)9-12/h3-10H,1-2H3,(H,17,20).
What are the key properties of 2-(4-fluorophenyl)sulfonyl-N-(1-methyl-6-oxo-3-pyridinyl)propanamide?
2-(4-fluorophenyl)sulfonyl-N-(1-methyl-6-oxo-3-pyridinyl)propanamide has a molecular weight of 338.36 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfonyl-N-(1-methyl-6-oxo-3-pyridinyl)propanamide is sourced from PubChem (CID 75461904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).