2,5-difluoro-N-[6-(methoxymethyl)-2-pyridinyl]benzenesulfonamide

C13H12F2N2O3S — CID 11522524

IUPAC2,5-difluoro-N-[6-(methoxymethyl)-2-pyridinyl]benzenesulfonamide
SMILESCOCc1cccc(NS(=O)(=O)c2cc(F)ccc2F)n1
InChIInChI=1S/C13H12F2N2O3S/c1-20-8-10-3-2-4-13(16-10)17-21(18,19)12-7-9(14)5-6-11(12)15/h2-7H,8H2,1H3,(H,16,17)
InChIKeyQIVBBKUBLLPXFS-UHFFFAOYSA-N
MW314.31 g/mol
LogP2.31
Rot. Bonds5

About 2,5-difluoro-N-[6-(methoxymethyl)-2-pyridinyl]benzenesulfonamide

2,5-difluoro-N-[6-(methoxymethyl)-2-pyridinyl]benzenesulfonamide (PubChem CID 11522524) has the molecular formula C13H12F2N2O3S and a molecular weight of 314.31 g/mol. Its IUPAC name is 2,5-difluoro-N-[6-(methoxymethyl)-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[6-(methoxymethyl)-2-pyridinyl]benzenesulfonamide
PubChem CID11522524
Molecular FormulaC13H12F2N2O3S
Molecular Weight314.31 g/mol
Exact Mass314.05
IUPAC Name2,5-difluoro-N-[6-(methoxymethyl)-2-pyridinyl]benzenesulfonamide
SMILESCOCc1cccc(NS(=O)(=O)c2cc(F)ccc2F)n1
InChIInChI=1S/C13H12F2N2O3S/c1-20-8-10-3-2-4-13(16-10)17-21(18,19)12-7-9(14)5-6-11(12)15/h2-7H,8H2,1H3,(H,16,17)
InChIKeyQIVBBKUBLLPXFS-UHFFFAOYSA-N
XLogP2.31
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[6-(methoxymethyl)-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[6-(methoxymethyl)-2-pyridinyl]benzenesulfonamide (CID 11522524) is 2,5-difluoro-N-[6-(methoxymethyl)-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[6-(methoxymethyl)-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[6-(methoxymethyl)-2-pyridinyl]benzenesulfonamide is COCc1cccc(NS(=O)(=O)c2cc(F)ccc2F)n1.
What is the InChIKey of 2,5-difluoro-N-[6-(methoxymethyl)-2-pyridinyl]benzenesulfonamide?
The InChIKey is QIVBBKUBLLPXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O3S/c1-20-8-10-3-2-4-13(16-10)17-21(18,19)12-7-9(14)5-6-11(12)15/h2-7H,8H2,1H3,(H,16,17).
What are the key properties of 2,5-difluoro-N-[6-(methoxymethyl)-2-pyridinyl]benzenesulfonamide?
2,5-difluoro-N-[6-(methoxymethyl)-2-pyridinyl]benzenesulfonamide has a molecular weight of 314.31 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[6-(methoxymethyl)-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 11522524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).