1-(4-fluorophenyl)-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]methanesulfonamide

C14H15FN2O3S — CID 110730447

IUPAC1-(4-fluorophenyl)-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]methanesulfonamide
SMILESCn1cccc(CNS(=O)(=O)Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C14H15FN2O3S/c1-17-8-2-3-12(14(17)18)9-16-21(19,20)10-11-4-6-13(15)7-5-11/h2-8,16H,9-10H2,1H3
InChIKeyNLIFVQSJIDEEGV-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.14
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]methanesulfonamide

1-(4-fluorophenyl)-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]methanesulfonamide (PubChem CID 110730447) has the molecular formula C14H15FN2O3S and a molecular weight of 310.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]methanesulfonamide
PubChem CID110730447
Molecular FormulaC14H15FN2O3S
Molecular Weight310.35 g/mol
Exact Mass310.08
IUPAC Name1-(4-fluorophenyl)-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]methanesulfonamide
SMILESCn1cccc(CNS(=O)(=O)Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C14H15FN2O3S/c1-17-8-2-3-12(14(17)18)9-16-21(19,20)10-11-4-6-13(15)7-5-11/h2-8,16H,9-10H2,1H3
InChIKeyNLIFVQSJIDEEGV-UHFFFAOYSA-N
XLogP1.14
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]methanesulfonamide (CID 110730447) is 1-(4-fluorophenyl)-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]methanesulfonamide is Cn1cccc(CNS(=O)(=O)Cc2ccc(F)cc2)c1=O.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]methanesulfonamide?
The InChIKey is NLIFVQSJIDEEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3S/c1-17-8-2-3-12(14(17)18)9-16-21(19,20)10-11-4-6-13(15)7-5-11/h2-8,16H,9-10H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]methanesulfonamide?
1-(4-fluorophenyl)-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]methanesulfonamide has a molecular weight of 310.35 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]methanesulfonamide is sourced from PubChem (CID 110730447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).