6-[4-[[4-(cyclopropylsulfonylmethyl)oxan-3-yl]methoxy]phenyl]-5-fluoropyridin-3-ol

C21H24FNO5S — CID 123317980

IUPAC6-[4-[[4-(cyclopropylsulfonylmethyl)oxan-3-yl]methoxy]phenyl]-5-fluoropyridin-3-ol
SMILESO=S(=O)(CC1CCOCC1COc1ccc(-c2ncc(O)cc2F)cc1)C1CC1
InChIInChI=1S/C21H24FNO5S/c22-20-9-17(24)10-23-21(20)14-1-3-18(4-2-14)28-12-16-11-27-8-7-15(16)13-29(25,26)19-5-6-19/h1-4,9-10,15-16,19,24H,5-8,11-13H2
InChIKeyKKNHADKRAOBOGM-UHFFFAOYSA-N
MW421.49 g/mol
LogP3.20
Rot. Bonds7

About 6-[4-[[4-(cyclopropylsulfonylmethyl)oxan-3-yl]methoxy]phenyl]-5-fluoropyridin-3-ol

6-[4-[[4-(cyclopropylsulfonylmethyl)oxan-3-yl]methoxy]phenyl]-5-fluoropyridin-3-ol (PubChem CID 123317980) has the molecular formula C21H24FNO5S and a molecular weight of 421.49 g/mol. Its IUPAC name is 6-[4-[[4-(cyclopropylsulfonylmethyl)oxan-3-yl]methoxy]phenyl]-5-fluoropyridin-3-ol.

Molecular Properties

Compound Name6-[4-[[4-(cyclopropylsulfonylmethyl)oxan-3-yl]methoxy]phenyl]-5-fluoropyridin-3-ol
PubChem CID123317980
Molecular FormulaC21H24FNO5S
Molecular Weight421.49 g/mol
Exact Mass421.14
IUPAC Name6-[4-[[4-(cyclopropylsulfonylmethyl)oxan-3-yl]methoxy]phenyl]-5-fluoropyridin-3-ol
SMILESO=S(=O)(CC1CCOCC1COc1ccc(-c2ncc(O)cc2F)cc1)C1CC1
InChIInChI=1S/C21H24FNO5S/c22-20-9-17(24)10-23-21(20)14-1-3-18(4-2-14)28-12-16-11-27-8-7-15(16)13-29(25,26)19-5-6-19/h1-4,9-10,15-16,19,24H,5-8,11-13H2
InChIKeyKKNHADKRAOBOGM-UHFFFAOYSA-N
XLogP3.20
TPSA85.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[4-[[4-(cyclopropylsulfonylmethyl)oxan-3-yl]methoxy]phenyl]-5-fluoropyridin-3-ol with MolForge

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Related Compounds

N-[3-[[4-(3-fluoro-5-hydroxy-2-pyridinyl)phenoxy]methyl]oxan-4-yl]methanesulfonamide
CID 123645223
tert-butyl N-[(3R,4S)-4-[[4-(5-chloro-3-fluoro-2-pyridinyl)phenoxy]methyl]oxan-3-yl]carbamate
CID 86709105
N-[3-[[4-(5-fluoro-2-pyridinyl)phenoxy]methyl]oxan-4-yl]cyclopropanesulfonamide
CID 70818848
5-fluoro-2-[4-[[4-[2-[(2-methylcyclopropyl)methylsulfonyl]ethyl]oxan-3-yl]methoxy]phenyl]pyridine
CID 123943523
6-[4-[[4-(3-cyclopropylsulfonylprop-1-en-2-yl)oxan-3-yl]methoxy]-3-methylphenyl]pyridin-3-ol
CID 123318903
N-[3-[[4-(5-methyl-1,2-oxazol-3-yl)phenoxy]methyl]oxan-4-yl]cyclopropanesulfonamide
CID 70818837
N-[(3R,4S)-3-[[4-(5-fluoropyrimidin-2-yl)phenoxy]methyl]oxan-4-yl]ethanesulfonamide
CID 70818604
N-[(3R,4S)-4-[[4-(5-fluoropyrimidin-2-yl)phenoxy]methyl]oxan-3-yl]methanesulfonamide
CID 70818590
[(3R,4R)-3-[[4-(5-chloro-2-pyridinyl)phenoxy]methyl]oxan-4-yl]carbamic acid
CID 70819480
N-[(3R,4S)-4-[[4-(5-chloro-2-pyridinyl)phenoxy]methyl]oxan-3-yl]ethanesulfonamide
CID 70818750
N-[(1S,2S)-2-[[4-(5-cyano-3-fluoro-2-pyridinyl)phenoxy]methyl]-4,4-difluorocyclohexyl]methanesulfonamide
CID 86709021
(3R,4S)-4-[[4-(5-chloropyrimidin-2-yl)phenoxy]methyl]oxan-3-amine
CID 70818782

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[4-(cyclopropylsulfonylmethyl)oxan-3-yl]methoxy]phenyl]-5-fluoropyridin-3-ol?
The IUPAC name of 6-[4-[[4-(cyclopropylsulfonylmethyl)oxan-3-yl]methoxy]phenyl]-5-fluoropyridin-3-ol (CID 123317980) is 6-[4-[[4-(cyclopropylsulfonylmethyl)oxan-3-yl]methoxy]phenyl]-5-fluoropyridin-3-ol.
What is the SMILES notation for 6-[4-[[4-(cyclopropylsulfonylmethyl)oxan-3-yl]methoxy]phenyl]-5-fluoropyridin-3-ol?
The canonical SMILES for 6-[4-[[4-(cyclopropylsulfonylmethyl)oxan-3-yl]methoxy]phenyl]-5-fluoropyridin-3-ol is O=S(=O)(CC1CCOCC1COc1ccc(-c2ncc(O)cc2F)cc1)C1CC1.
What is the InChIKey of 6-[4-[[4-(cyclopropylsulfonylmethyl)oxan-3-yl]methoxy]phenyl]-5-fluoropyridin-3-ol?
The InChIKey is KKNHADKRAOBOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO5S/c22-20-9-17(24)10-23-21(20)14-1-3-18(4-2-14)28-12-16-11-27-8-7-15(16)13-29(25,26)19-5-6-19/h1-4,9-10,15-16,19,24H,5-8,11-13H2.
What are the key properties of 6-[4-[[4-(cyclopropylsulfonylmethyl)oxan-3-yl]methoxy]phenyl]-5-fluoropyridin-3-ol?
6-[4-[[4-(cyclopropylsulfonylmethyl)oxan-3-yl]methoxy]phenyl]-5-fluoropyridin-3-ol has a molecular weight of 421.49 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[4-(cyclopropylsulfonylmethyl)oxan-3-yl]methoxy]phenyl]-5-fluoropyridin-3-ol is sourced from PubChem (CID 123317980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).