N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methanesulfonamide

C18H15FN2O3S — CID 57404883

IUPACN-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C18H15FN2O3S/c1-25(22,23)21-18-4-2-3-17(20-18)13-5-9-15(10-6-13)24-16-11-7-14(19)8-12-16/h2-12H,1H3,(H,20,21)
InChIKeyIHMJOBUAMCSVQV-UHFFFAOYSA-N
MW358.39 g/mol
LogP4.05
Rot. Bonds5

About N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methanesulfonamide

N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methanesulfonamide (PubChem CID 57404883) has the molecular formula C18H15FN2O3S and a molecular weight of 358.39 g/mol. Its IUPAC name is N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methanesulfonamide
PubChem CID57404883
Molecular FormulaC18H15FN2O3S
Molecular Weight358.39 g/mol
Exact Mass358.08
IUPAC NameN-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C18H15FN2O3S/c1-25(22,23)21-18-4-2-3-17(20-18)13-5-9-15(10-6-13)24-16-11-7-14(19)8-12-16/h2-12H,1H3,(H,20,21)
InChIKeyIHMJOBUAMCSVQV-UHFFFAOYSA-N
XLogP4.05
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methanesulfonamide?
The IUPAC name of N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methanesulfonamide (CID 57404883) is N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.
What is the InChIKey of N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methanesulfonamide?
The InChIKey is IHMJOBUAMCSVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3S/c1-25(22,23)21-18-4-2-3-17(20-18)13-5-9-15(10-6-13)24-16-11-7-14(19)8-12-16/h2-12H,1H3,(H,20,21).
What are the key properties of N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methanesulfonamide?
N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methanesulfonamide has a molecular weight of 358.39 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methanesulfonamide is sourced from PubChem (CID 57404883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).