N-[5-(4-fluorophenoxy)-2-pyridinyl]methanesulfonamide

C12H11FN2O3S — CID 91649211

IUPACN-[5-(4-fluorophenoxy)-2-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2)cn1
InChIInChI=1S/C12H11FN2O3S/c1-19(16,17)15-12-7-6-11(8-14-12)18-10-4-2-9(13)3-5-10/h2-8H,1H3,(H,14,15)
InChIKeyNUQBCVWVAXMZJP-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.38
Rot. Bonds4

About N-[5-(4-fluorophenoxy)-2-pyridinyl]methanesulfonamide

N-[5-(4-fluorophenoxy)-2-pyridinyl]methanesulfonamide (PubChem CID 91649211) has the molecular formula C12H11FN2O3S and a molecular weight of 282.30 g/mol. Its IUPAC name is N-[5-(4-fluorophenoxy)-2-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenoxy)-2-pyridinyl]methanesulfonamide
PubChem CID91649211
Molecular FormulaC12H11FN2O3S
Molecular Weight282.30 g/mol
Exact Mass282.05
IUPAC NameN-[5-(4-fluorophenoxy)-2-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2)cn1
InChIInChI=1S/C12H11FN2O3S/c1-19(16,17)15-12-7-6-11(8-14-12)18-10-4-2-9(13)3-5-10/h2-8H,1H3,(H,14,15)
InChIKeyNUQBCVWVAXMZJP-UHFFFAOYSA-N
XLogP2.38
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenoxy)-2-pyridinyl]methanesulfonamide?
The IUPAC name of N-[5-(4-fluorophenoxy)-2-pyridinyl]methanesulfonamide (CID 91649211) is N-[5-(4-fluorophenoxy)-2-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[5-(4-fluorophenoxy)-2-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[5-(4-fluorophenoxy)-2-pyridinyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2)cn1.
What is the InChIKey of N-[5-(4-fluorophenoxy)-2-pyridinyl]methanesulfonamide?
The InChIKey is NUQBCVWVAXMZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3S/c1-19(16,17)15-12-7-6-11(8-14-12)18-10-4-2-9(13)3-5-10/h2-8H,1H3,(H,14,15).
What are the key properties of N-[5-(4-fluorophenoxy)-2-pyridinyl]methanesulfonamide?
N-[5-(4-fluorophenoxy)-2-pyridinyl]methanesulfonamide has a molecular weight of 282.30 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenoxy)-2-pyridinyl]methanesulfonamide is sourced from PubChem (CID 91649211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).