4-(4-bromophenyl)-1-(3-fluorophenyl)sulfonylpiperidin-4-ol

C17H17BrFNO3S — CID 23853832

IUPAC4-(4-bromophenyl)-1-(3-fluorophenyl)sulfonylpiperidin-4-ol
SMILESO=S(=O)(c1cccc(F)c1)N1CCC(O)(c2ccc(Br)cc2)CC1
InChIInChI=1S/C17H17BrFNO3S/c18-14-6-4-13(5-7-14)17(21)8-10-20(11-9-17)24(22,23)16-3-1-2-15(19)12-16/h1-7,12,21H,8-11H2
InChIKeyWYUBVRPVAUPOAW-UHFFFAOYSA-N
MW414.30 g/mol
LogP3.26
Rot. Bonds3

About 4-(4-bromophenyl)-1-(3-fluorophenyl)sulfonylpiperidin-4-ol

4-(4-bromophenyl)-1-(3-fluorophenyl)sulfonylpiperidin-4-ol (PubChem CID 23853832) has the molecular formula C17H17BrFNO3S and a molecular weight of 414.30 g/mol. Its IUPAC name is 4-(4-bromophenyl)-1-(3-fluorophenyl)sulfonylpiperidin-4-ol.

Molecular Properties

Compound Name4-(4-bromophenyl)-1-(3-fluorophenyl)sulfonylpiperidin-4-ol
PubChem CID23853832
Molecular FormulaC17H17BrFNO3S
Molecular Weight414.30 g/mol
Exact Mass413.01
IUPAC Name4-(4-bromophenyl)-1-(3-fluorophenyl)sulfonylpiperidin-4-ol
SMILESO=S(=O)(c1cccc(F)c1)N1CCC(O)(c2ccc(Br)cc2)CC1
InChIInChI=1S/C17H17BrFNO3S/c18-14-6-4-13(5-7-14)17(21)8-10-20(11-9-17)24(22,23)16-3-1-2-15(19)12-16/h1-7,12,21H,8-11H2
InChIKeyWYUBVRPVAUPOAW-UHFFFAOYSA-N
XLogP3.26
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.30
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-1-(3-fluorophenyl)sulfonylpiperidin-4-ol?
The IUPAC name of 4-(4-bromophenyl)-1-(3-fluorophenyl)sulfonylpiperidin-4-ol (CID 23853832) is 4-(4-bromophenyl)-1-(3-fluorophenyl)sulfonylpiperidin-4-ol.
What is the SMILES notation for 4-(4-bromophenyl)-1-(3-fluorophenyl)sulfonylpiperidin-4-ol?
The canonical SMILES for 4-(4-bromophenyl)-1-(3-fluorophenyl)sulfonylpiperidin-4-ol is O=S(=O)(c1cccc(F)c1)N1CCC(O)(c2ccc(Br)cc2)CC1.
What is the InChIKey of 4-(4-bromophenyl)-1-(3-fluorophenyl)sulfonylpiperidin-4-ol?
The InChIKey is WYUBVRPVAUPOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO3S/c18-14-6-4-13(5-7-14)17(21)8-10-20(11-9-17)24(22,23)16-3-1-2-15(19)12-16/h1-7,12,21H,8-11H2.
What are the key properties of 4-(4-bromophenyl)-1-(3-fluorophenyl)sulfonylpiperidin-4-ol?
4-(4-bromophenyl)-1-(3-fluorophenyl)sulfonylpiperidin-4-ol has a molecular weight of 414.30 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-1-(3-fluorophenyl)sulfonylpiperidin-4-ol is sourced from PubChem (CID 23853832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).