4-[4-(4-fluoro-3-methylphenoxy)phenyl]sulfonyl-1-hydroxypiperidine

C18H20FNO4S — CID 70006400

IUPAC4-[4-(4-fluoro-3-methylphenoxy)phenyl]sulfonyl-1-hydroxypiperidine
SMILESCc1cc(Oc2ccc(S(=O)(=O)C3CCN(O)CC3)cc2)ccc1F
InChIInChI=1S/C18H20FNO4S/c1-13-12-15(4-7-18(13)19)24-14-2-5-16(6-3-14)25(22,23)17-8-10-20(21)11-9-17/h2-7,12,17,21H,8-11H2,1H3
InChIKeyIBOVSFKQWSJIRH-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.55
Rot. Bonds4

About 4-[4-(4-fluoro-3-methylphenoxy)phenyl]sulfonyl-1-hydroxypiperidine

4-[4-(4-fluoro-3-methylphenoxy)phenyl]sulfonyl-1-hydroxypiperidine (PubChem CID 70006400) has the molecular formula C18H20FNO4S and a molecular weight of 365.43 g/mol. Its IUPAC name is 4-[4-(4-fluoro-3-methylphenoxy)phenyl]sulfonyl-1-hydroxypiperidine.

Molecular Properties

Compound Name4-[4-(4-fluoro-3-methylphenoxy)phenyl]sulfonyl-1-hydroxypiperidine
PubChem CID70006400
Molecular FormulaC18H20FNO4S
Molecular Weight365.43 g/mol
Exact Mass365.11
IUPAC Name4-[4-(4-fluoro-3-methylphenoxy)phenyl]sulfonyl-1-hydroxypiperidine
SMILESCc1cc(Oc2ccc(S(=O)(=O)C3CCN(O)CC3)cc2)ccc1F
InChIInChI=1S/C18H20FNO4S/c1-13-12-15(4-7-18(13)19)24-14-2-5-16(6-3-14)25(22,23)17-8-10-20(21)11-9-17/h2-7,12,17,21H,8-11H2,1H3
InChIKeyIBOVSFKQWSJIRH-UHFFFAOYSA-N
XLogP3.55
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluoro-3-methylphenoxy)phenyl]sulfonyl-1-hydroxypiperidine?
The IUPAC name of 4-[4-(4-fluoro-3-methylphenoxy)phenyl]sulfonyl-1-hydroxypiperidine (CID 70006400) is 4-[4-(4-fluoro-3-methylphenoxy)phenyl]sulfonyl-1-hydroxypiperidine.
What is the SMILES notation for 4-[4-(4-fluoro-3-methylphenoxy)phenyl]sulfonyl-1-hydroxypiperidine?
The canonical SMILES for 4-[4-(4-fluoro-3-methylphenoxy)phenyl]sulfonyl-1-hydroxypiperidine is Cc1cc(Oc2ccc(S(=O)(=O)C3CCN(O)CC3)cc2)ccc1F.
What is the InChIKey of 4-[4-(4-fluoro-3-methylphenoxy)phenyl]sulfonyl-1-hydroxypiperidine?
The InChIKey is IBOVSFKQWSJIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO4S/c1-13-12-15(4-7-18(13)19)24-14-2-5-16(6-3-14)25(22,23)17-8-10-20(21)11-9-17/h2-7,12,17,21H,8-11H2,1H3.
What are the key properties of 4-[4-(4-fluoro-3-methylphenoxy)phenyl]sulfonyl-1-hydroxypiperidine?
4-[4-(4-fluoro-3-methylphenoxy)phenyl]sulfonyl-1-hydroxypiperidine has a molecular weight of 365.43 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluoro-3-methylphenoxy)phenyl]sulfonyl-1-hydroxypiperidine is sourced from PubChem (CID 70006400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).