2-fluoro-N-[(2-methoxy-4-pyridinyl)methyl]-5-methylbenzenesulfonamide

C14H15FN2O3S — CID 39630555

IUPAC2-fluoro-N-[(2-methoxy-4-pyridinyl)methyl]-5-methylbenzenesulfonamide
SMILESCOc1cc(CNS(=O)(=O)c2cc(C)ccc2F)ccn1
InChIInChI=1S/C14H15FN2O3S/c1-10-3-4-12(15)13(7-10)21(18,19)17-9-11-5-6-16-14(8-11)20-2/h3-8,17H,9H2,1-2H3
InChIKeyXLUPZUOYZKHNMG-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.02
Rot. Bonds5

About 2-fluoro-N-[(2-methoxy-4-pyridinyl)methyl]-5-methylbenzenesulfonamide

2-fluoro-N-[(2-methoxy-4-pyridinyl)methyl]-5-methylbenzenesulfonamide (PubChem CID 39630555) has the molecular formula C14H15FN2O3S and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-fluoro-N-[(2-methoxy-4-pyridinyl)methyl]-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[(2-methoxy-4-pyridinyl)methyl]-5-methylbenzenesulfonamide
PubChem CID39630555
Molecular FormulaC14H15FN2O3S
Molecular Weight310.35 g/mol
Exact Mass310.08
IUPAC Name2-fluoro-N-[(2-methoxy-4-pyridinyl)methyl]-5-methylbenzenesulfonamide
SMILESCOc1cc(CNS(=O)(=O)c2cc(C)ccc2F)ccn1
InChIInChI=1S/C14H15FN2O3S/c1-10-3-4-12(15)13(7-10)21(18,19)17-9-11-5-6-16-14(8-11)20-2/h3-8,17H,9H2,1-2H3
InChIKeyXLUPZUOYZKHNMG-UHFFFAOYSA-N
XLogP2.02
TPSA68.29 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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2-methoxy-4-pyridinyl)methyl]-5-methylbenzenesulfonamide?
The IUPAC name of 2-fluoro-N-[(2-methoxy-4-pyridinyl)methyl]-5-methylbenzenesulfonamide (CID 39630555) is 2-fluoro-N-[(2-methoxy-4-pyridinyl)methyl]-5-methylbenzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[(2-methoxy-4-pyridinyl)methyl]-5-methylbenzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[(2-methoxy-4-pyridinyl)methyl]-5-methylbenzenesulfonamide is COc1cc(CNS(=O)(=O)c2cc(C)ccc2F)ccn1.
What is the InChIKey of 2-fluoro-N-[(2-methoxy-4-pyridinyl)methyl]-5-methylbenzenesulfonamide?
The InChIKey is XLUPZUOYZKHNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3S/c1-10-3-4-12(15)13(7-10)21(18,19)17-9-11-5-6-16-14(8-11)20-2/h3-8,17H,9H2,1-2H3.
What are the key properties of 2-fluoro-N-[(2-methoxy-4-pyridinyl)methyl]-5-methylbenzenesulfonamide?
2-fluoro-N-[(2-methoxy-4-pyridinyl)methyl]-5-methylbenzenesulfonamide has a molecular weight of 310.35 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(2-methoxy-4-pyridinyl)methyl]-5-methylbenzenesulfonamide is sourced from PubChem (CID 39630555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).