4-fluoro-2-methyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]benzenesulfonamide

C14H15FN2O3S — CID 110730424

IUPAC4-fluoro-2-methyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCc1cccn(C)c1=O
InChIInChI=1S/C14H15FN2O3S/c1-10-8-12(15)5-6-13(10)21(19,20)16-9-11-4-3-7-17(2)14(11)18/h3-8,16H,9H2,1-2H3
InChIKeyOBFFWUKBYYZRPE-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.31
Rot. Bonds4

About 4-fluoro-2-methyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]benzenesulfonamide

4-fluoro-2-methyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]benzenesulfonamide (PubChem CID 110730424) has the molecular formula C14H15FN2O3S and a molecular weight of 310.35 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]benzenesulfonamide
PubChem CID110730424
Molecular FormulaC14H15FN2O3S
Molecular Weight310.35 g/mol
Exact Mass310.08
IUPAC Name4-fluoro-2-methyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCc1cccn(C)c1=O
InChIInChI=1S/C14H15FN2O3S/c1-10-8-12(15)5-6-13(10)21(19,20)16-9-11-4-3-7-17(2)14(11)18/h3-8,16H,9H2,1-2H3
InChIKeyOBFFWUKBYYZRPE-UHFFFAOYSA-N
XLogP1.31
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2,5-dimethyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]benzenesulfonamide
CID 110730435
1-(4-fluorophenyl)-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]methanesulfonamide
CID 110730447
4-methoxy-2,6-dimethyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]benzenesulfonamide
CID 110730456
4-fluoro-2-methyl-N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]benzenesulfonamide
CID 110352078
4-fluoro-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 110716621
4-fluoro-2-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]benzenesulfonamide
CID 119102922
N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110730433
N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-3-nitrobenzenesulfonamide
CID 110730468
N-[[2-(dimethylamino)phenyl]methyl]-5-fluoro-2-methylbenzenesulfonamide
CID 75493750
4-fluoro-2-methyl-N-[(6-phenylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122262233
4-fluoro-2-methyl-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide
CID 100691010
4-fluoro-2-methyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]benzenesulfonamide
CID 110719618

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]benzenesulfonamide (CID 110730424) is 4-fluoro-2-methyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]benzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)NCc1cccn(C)c1=O.
What is the InChIKey of 4-fluoro-2-methyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]benzenesulfonamide?
The InChIKey is OBFFWUKBYYZRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3S/c1-10-8-12(15)5-6-13(10)21(19,20)16-9-11-4-3-7-17(2)14(11)18/h3-8,16H,9H2,1-2H3.
What are the key properties of 4-fluoro-2-methyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]benzenesulfonamide?
4-fluoro-2-methyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]benzenesulfonamide has a molecular weight of 310.35 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]benzenesulfonamide is sourced from PubChem (CID 110730424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).