[6-[(2,5-difluorophenyl)sulfonylamino]-2-pyridinyl]methyl acetate

C14H12F2N2O4S — CID 68842231

IUPAC[6-[(2,5-difluorophenyl)sulfonylamino]-2-pyridinyl]methyl acetate
SMILESCC(=O)OCc1cccc(NS(=O)(=O)c2cc(F)ccc2F)n1
InChIInChI=1S/C14H12F2N2O4S/c1-9(19)22-8-11-3-2-4-14(17-11)18-23(20,21)13-7-10(15)5-6-12(13)16/h2-7H,8H2,1H3,(H,17,18)
InChIKeyRLBZXWBYIHBGTK-UHFFFAOYSA-N
MW342.32 g/mol
LogP2.22
Rot. Bonds5

About [6-[(2,5-difluorophenyl)sulfonylamino]-2-pyridinyl]methyl acetate

[6-[(2,5-difluorophenyl)sulfonylamino]-2-pyridinyl]methyl acetate (PubChem CID 68842231) has the molecular formula C14H12F2N2O4S and a molecular weight of 342.32 g/mol. Its IUPAC name is [6-[(2,5-difluorophenyl)sulfonylamino]-2-pyridinyl]methyl acetate.

Molecular Properties

Compound Name[6-[(2,5-difluorophenyl)sulfonylamino]-2-pyridinyl]methyl acetate
PubChem CID68842231
Molecular FormulaC14H12F2N2O4S
Molecular Weight342.32 g/mol
Exact Mass342.05
IUPAC Name[6-[(2,5-difluorophenyl)sulfonylamino]-2-pyridinyl]methyl acetate
SMILESCC(=O)OCc1cccc(NS(=O)(=O)c2cc(F)ccc2F)n1
InChIInChI=1S/C14H12F2N2O4S/c1-9(19)22-8-11-3-2-4-14(17-11)18-23(20,21)13-7-10(15)5-6-12(13)16/h2-7H,8H2,1H3,(H,17,18)
InChIKeyRLBZXWBYIHBGTK-UHFFFAOYSA-N
XLogP2.22
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-[(2,5-difluorophenyl)sulfonylamino]-2-pyridinyl]methyl acetate?
The IUPAC name of [6-[(2,5-difluorophenyl)sulfonylamino]-2-pyridinyl]methyl acetate (CID 68842231) is [6-[(2,5-difluorophenyl)sulfonylamino]-2-pyridinyl]methyl acetate.
What is the SMILES notation for [6-[(2,5-difluorophenyl)sulfonylamino]-2-pyridinyl]methyl acetate?
The canonical SMILES for [6-[(2,5-difluorophenyl)sulfonylamino]-2-pyridinyl]methyl acetate is CC(=O)OCc1cccc(NS(=O)(=O)c2cc(F)ccc2F)n1.
What is the InChIKey of [6-[(2,5-difluorophenyl)sulfonylamino]-2-pyridinyl]methyl acetate?
The InChIKey is RLBZXWBYIHBGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O4S/c1-9(19)22-8-11-3-2-4-14(17-11)18-23(20,21)13-7-10(15)5-6-12(13)16/h2-7H,8H2,1H3,(H,17,18).
What are the key properties of [6-[(2,5-difluorophenyl)sulfonylamino]-2-pyridinyl]methyl acetate?
[6-[(2,5-difluorophenyl)sulfonylamino]-2-pyridinyl]methyl acetate has a molecular weight of 342.32 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2,5-difluorophenyl)sulfonylamino]-2-pyridinyl]methyl acetate is sourced from PubChem (CID 68842231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).