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

C18H21FN2O5S — CID 123645223

IUPACN-[3-[[4-(3-fluoro-5-hydroxy-2-pyridinyl)phenoxy]methyl]oxan-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCOCC1COc1ccc(-c2ncc(O)cc2F)cc1
InChIInChI=1S/C18H21FN2O5S/c1-27(23,24)21-17-6-7-25-10-13(17)11-26-15-4-2-12(3-5-15)18-16(19)8-14(22)9-20-18/h2-5,8-9,13,17,21-22H,6-7,10-11H2,1H3
InChIKeyOKQMEBSEDZDCQG-UHFFFAOYSA-N
MW396.44 g/mol
LogP1.93
Rot. Bonds6

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

N-[3-[[4-(3-fluoro-5-hydroxy-2-pyridinyl)phenoxy]methyl]oxan-4-yl]methanesulfonamide (PubChem CID 123645223) has the molecular formula C18H21FN2O5S and a molecular weight of 396.44 g/mol. Its IUPAC name is N-[3-[[4-(3-fluoro-5-hydroxy-2-pyridinyl)phenoxy]methyl]oxan-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[[4-(3-fluoro-5-hydroxy-2-pyridinyl)phenoxy]methyl]oxan-4-yl]methanesulfonamide
PubChem CID123645223
Molecular FormulaC18H21FN2O5S
Molecular Weight396.44 g/mol
Exact Mass396.12
IUPAC NameN-[3-[[4-(3-fluoro-5-hydroxy-2-pyridinyl)phenoxy]methyl]oxan-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCOCC1COc1ccc(-c2ncc(O)cc2F)cc1
InChIInChI=1S/C18H21FN2O5S/c1-27(23,24)21-17-6-7-25-10-13(17)11-26-15-4-2-12(3-5-15)18-16(19)8-14(22)9-20-18/h2-5,8-9,13,17,21-22H,6-7,10-11H2,1H3
InChIKeyOKQMEBSEDZDCQG-UHFFFAOYSA-N
XLogP1.93
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-[[4-(cyclopropylsulfonylmethyl)oxan-3-yl]methoxy]phenyl]-5-fluoropyridin-3-ol
CID 123317980
N-[(3R,4S)-4-[[4-(5-fluoropyrimidin-2-yl)phenoxy]methyl]oxan-3-yl]methanesulfonamide
CID 70818590
N-[(3R,4S)-3-[[4-(5-fluoropyrimidin-2-yl)phenoxy]methyl]oxan-4-yl]ethanesulfonamide
CID 70818604
N-[(3R,4S)-3-[[4-(5-chloro-2-pyridinyl)-2-fluorophenoxy]methyl]oxan-4-yl]methanesulfonamide;N-[3-[[4-(5-chloro-2-pyridinyl)-2-fluorophenoxy]methyl]oxan-4-yl]methanesulfonamide
CID 70818798
N-[(1S,2S)-2-[[4-(5-cyano-3-fluoro-2-pyridinyl)phenoxy]methyl]-4,4-difluorocyclohexyl]methanesulfonamide
CID 86709021
N-[3-[[4-(5-chloro-2-pyridinyl)-2-fluorophenoxy]methyl]oxan-4-yl]methanesulfonamide;methanesulfonamide
CID 158942779
tert-butyl N-[(3R,4S)-4-[[4-(5-chloro-3-fluoro-2-pyridinyl)phenoxy]methyl]oxan-3-yl]carbamate
CID 86709105
N-[(3R,4S)-3-[[4-[(4-chloropyrazol-1-yl)methyl]phenoxy]methyl]oxan-4-yl]methanesulfonamide
CID 86709107
N-[3-[[4-(5-methyl-1,2-oxazol-3-yl)phenoxy]methyl]oxan-4-yl]cyclopropanesulfonamide
CID 70818837
N-[3-[[4-(5-fluoro-2-pyridinyl)phenoxy]methyl]oxan-4-yl]cyclopropanesulfonamide
CID 70818848
N-[(3S,4R)-3-[[3-fluoro-4-(4-methylpyrazol-1-yl)phenoxy]methyl]oxan-4-yl]ethanesulfonamide;N-[(3R,4S)-3-[[3-fluoro-4-(4-methylpyrazol-1-yl)phenoxy]methyl]oxan-4-yl]ethanesulfonamide
CID 162043280
N-[(3S,4R)-3-[[3-fluoro-4-(5-fluoro-2-pyridinyl)phenoxy]methyl]oxan-4-yl]ethanesulfonamide
CID 70819027

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(3-fluoro-5-hydroxy-2-pyridinyl)phenoxy]methyl]oxan-4-yl]methanesulfonamide?
The IUPAC name of N-[3-[[4-(3-fluoro-5-hydroxy-2-pyridinyl)phenoxy]methyl]oxan-4-yl]methanesulfonamide (CID 123645223) is N-[3-[[4-(3-fluoro-5-hydroxy-2-pyridinyl)phenoxy]methyl]oxan-4-yl]methanesulfonamide.
What is the SMILES notation for N-[3-[[4-(3-fluoro-5-hydroxy-2-pyridinyl)phenoxy]methyl]oxan-4-yl]methanesulfonamide?
The canonical SMILES for N-[3-[[4-(3-fluoro-5-hydroxy-2-pyridinyl)phenoxy]methyl]oxan-4-yl]methanesulfonamide is CS(=O)(=O)NC1CCOCC1COc1ccc(-c2ncc(O)cc2F)cc1.
What is the InChIKey of N-[3-[[4-(3-fluoro-5-hydroxy-2-pyridinyl)phenoxy]methyl]oxan-4-yl]methanesulfonamide?
The InChIKey is OKQMEBSEDZDCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O5S/c1-27(23,24)21-17-6-7-25-10-13(17)11-26-15-4-2-12(3-5-15)18-16(19)8-14(22)9-20-18/h2-5,8-9,13,17,21-22H,6-7,10-11H2,1H3.
What are the key properties of N-[3-[[4-(3-fluoro-5-hydroxy-2-pyridinyl)phenoxy]methyl]oxan-4-yl]methanesulfonamide?
N-[3-[[4-(3-fluoro-5-hydroxy-2-pyridinyl)phenoxy]methyl]oxan-4-yl]methanesulfonamide has a molecular weight of 396.44 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(3-fluoro-5-hydroxy-2-pyridinyl)phenoxy]methyl]oxan-4-yl]methanesulfonamide is sourced from PubChem (CID 123645223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).