N-[3-[[4-(5-fluoro-2-pyridinyl)phenoxy]methyl]oxan-4-yl]cyclopropanesulfonamide

C20H23FN2O4S — CID 70818848

IUPACN-[3-[[4-(5-fluoro-2-pyridinyl)phenoxy]methyl]oxan-4-yl]cyclopropanesulfonamide
SMILESO=S(=O)(NC1CCOCC1COc1ccc(-c2ccc(F)cn2)cc1)C1CC1
InChIInChI=1S/C20H23FN2O4S/c21-16-3-8-19(22-11-16)14-1-4-17(5-2-14)27-13-15-12-26-10-9-20(15)23-28(24,25)18-6-7-18/h1-5,8,11,15,18,20,23H,6-7,9-10,12-13H2
InChIKeyXXUOMXPYNDLJID-UHFFFAOYSA-N
MW406.48 g/mol
LogP2.75
Rot. Bonds7

About N-[3-[[4-(5-fluoro-2-pyridinyl)phenoxy]methyl]oxan-4-yl]cyclopropanesulfonamide

N-[3-[[4-(5-fluoro-2-pyridinyl)phenoxy]methyl]oxan-4-yl]cyclopropanesulfonamide (PubChem CID 70818848) has the molecular formula C20H23FN2O4S and a molecular weight of 406.48 g/mol. Its IUPAC name is N-[3-[[4-(5-fluoro-2-pyridinyl)phenoxy]methyl]oxan-4-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[3-[[4-(5-fluoro-2-pyridinyl)phenoxy]methyl]oxan-4-yl]cyclopropanesulfonamide
PubChem CID70818848
Molecular FormulaC20H23FN2O4S
Molecular Weight406.48 g/mol
Exact Mass406.14
IUPAC NameN-[3-[[4-(5-fluoro-2-pyridinyl)phenoxy]methyl]oxan-4-yl]cyclopropanesulfonamide
SMILESO=S(=O)(NC1CCOCC1COc1ccc(-c2ccc(F)cn2)cc1)C1CC1
InChIInChI=1S/C20H23FN2O4S/c21-16-3-8-19(22-11-16)14-1-4-17(5-2-14)27-13-15-12-26-10-9-20(15)23-28(24,25)18-6-7-18/h1-5,8,11,15,18,20,23H,6-7,9-10,12-13H2
InChIKeyXXUOMXPYNDLJID-UHFFFAOYSA-N
XLogP2.75
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(5-fluoro-2-pyridinyl)phenoxy]methyl]oxan-4-yl]cyclopropanesulfonamide?
The IUPAC name of N-[3-[[4-(5-fluoro-2-pyridinyl)phenoxy]methyl]oxan-4-yl]cyclopropanesulfonamide (CID 70818848) is N-[3-[[4-(5-fluoro-2-pyridinyl)phenoxy]methyl]oxan-4-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[3-[[4-(5-fluoro-2-pyridinyl)phenoxy]methyl]oxan-4-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[3-[[4-(5-fluoro-2-pyridinyl)phenoxy]methyl]oxan-4-yl]cyclopropanesulfonamide is O=S(=O)(NC1CCOCC1COc1ccc(-c2ccc(F)cn2)cc1)C1CC1.
What is the InChIKey of N-[3-[[4-(5-fluoro-2-pyridinyl)phenoxy]methyl]oxan-4-yl]cyclopropanesulfonamide?
The InChIKey is XXUOMXPYNDLJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O4S/c21-16-3-8-19(22-11-16)14-1-4-17(5-2-14)27-13-15-12-26-10-9-20(15)23-28(24,25)18-6-7-18/h1-5,8,11,15,18,20,23H,6-7,9-10,12-13H2.
What are the key properties of N-[3-[[4-(5-fluoro-2-pyridinyl)phenoxy]methyl]oxan-4-yl]cyclopropanesulfonamide?
N-[3-[[4-(5-fluoro-2-pyridinyl)phenoxy]methyl]oxan-4-yl]cyclopropanesulfonamide has a molecular weight of 406.48 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(5-fluoro-2-pyridinyl)phenoxy]methyl]oxan-4-yl]cyclopropanesulfonamide is sourced from PubChem (CID 70818848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).