4-[4-(3-chloro-4-fluorophenoxy)phenyl]sulfonyl-1-hydroxypiperidine

C17H17ClFNO4S — CID 70008659

IUPAC4-[4-(3-chloro-4-fluorophenoxy)phenyl]sulfonyl-1-hydroxypiperidine
SMILESO=S(=O)(c1ccc(Oc2ccc(F)c(Cl)c2)cc1)C1CCN(O)CC1
InChIInChI=1S/C17H17ClFNO4S/c18-16-11-13(3-6-17(16)19)24-12-1-4-14(5-2-12)25(22,23)15-7-9-20(21)10-8-15/h1-6,11,15,21H,7-10H2
InChIKeyWITYDILNLHBXFX-UHFFFAOYSA-N
MW385.84 g/mol
LogP3.90
Rot. Bonds4

About 4-[4-(3-chloro-4-fluorophenoxy)phenyl]sulfonyl-1-hydroxypiperidine

4-[4-(3-chloro-4-fluorophenoxy)phenyl]sulfonyl-1-hydroxypiperidine (PubChem CID 70008659) has the molecular formula C17H17ClFNO4S and a molecular weight of 385.84 g/mol. Its IUPAC name is 4-[4-(3-chloro-4-fluorophenoxy)phenyl]sulfonyl-1-hydroxypiperidine.

Molecular Properties

Compound Name4-[4-(3-chloro-4-fluorophenoxy)phenyl]sulfonyl-1-hydroxypiperidine
PubChem CID70008659
Molecular FormulaC17H17ClFNO4S
Molecular Weight385.84 g/mol
Exact Mass385.06
IUPAC Name4-[4-(3-chloro-4-fluorophenoxy)phenyl]sulfonyl-1-hydroxypiperidine
SMILESO=S(=O)(c1ccc(Oc2ccc(F)c(Cl)c2)cc1)C1CCN(O)CC1
InChIInChI=1S/C17H17ClFNO4S/c18-16-11-13(3-6-17(16)19)24-12-1-4-14(5-2-12)25(22,23)15-7-9-20(21)10-8-15/h1-6,11,15,21H,7-10H2
InChIKeyWITYDILNLHBXFX-UHFFFAOYSA-N
XLogP3.90
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.84
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chloro-4-fluorophenoxy)phenyl]sulfonyl-1-hydroxypiperidine?
The IUPAC name of 4-[4-(3-chloro-4-fluorophenoxy)phenyl]sulfonyl-1-hydroxypiperidine (CID 70008659) is 4-[4-(3-chloro-4-fluorophenoxy)phenyl]sulfonyl-1-hydroxypiperidine.
What is the SMILES notation for 4-[4-(3-chloro-4-fluorophenoxy)phenyl]sulfonyl-1-hydroxypiperidine?
The canonical SMILES for 4-[4-(3-chloro-4-fluorophenoxy)phenyl]sulfonyl-1-hydroxypiperidine is O=S(=O)(c1ccc(Oc2ccc(F)c(Cl)c2)cc1)C1CCN(O)CC1.
What is the InChIKey of 4-[4-(3-chloro-4-fluorophenoxy)phenyl]sulfonyl-1-hydroxypiperidine?
The InChIKey is WITYDILNLHBXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO4S/c18-16-11-13(3-6-17(16)19)24-12-1-4-14(5-2-12)25(22,23)15-7-9-20(21)10-8-15/h1-6,11,15,21H,7-10H2.
What are the key properties of 4-[4-(3-chloro-4-fluorophenoxy)phenyl]sulfonyl-1-hydroxypiperidine?
4-[4-(3-chloro-4-fluorophenoxy)phenyl]sulfonyl-1-hydroxypiperidine has a molecular weight of 385.84 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-chloro-4-fluorophenoxy)phenyl]sulfonyl-1-hydroxypiperidine is sourced from PubChem (CID 70008659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).