1-(azetidin-3-yl)-4-(2,6-difluorophenyl)sulfonylpiperazine

C13H17F2N3O2S — CID 66203131

IUPAC1-(azetidin-3-yl)-4-(2,6-difluorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1c(F)cccc1F)N1CCN(C2CNC2)CC1
InChIInChI=1S/C13H17F2N3O2S/c14-11-2-1-3-12(15)13(11)21(19,20)18-6-4-17(5-7-18)10-8-16-9-10/h1-3,10,16H,4-9H2
InChIKeyWBFFQFBTMUZCMJ-UHFFFAOYSA-N
MW317.36 g/mol
LogP0.24
Rot. Bonds3

About 1-(azetidin-3-yl)-4-(2,6-difluorophenyl)sulfonylpiperazine

1-(azetidin-3-yl)-4-(2,6-difluorophenyl)sulfonylpiperazine (PubChem CID 66203131) has the molecular formula C13H17F2N3O2S and a molecular weight of 317.36 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-4-(2,6-difluorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-4-(2,6-difluorophenyl)sulfonylpiperazine
PubChem CID66203131
Molecular FormulaC13H17F2N3O2S
Molecular Weight317.36 g/mol
Exact Mass317.10
IUPAC Name1-(azetidin-3-yl)-4-(2,6-difluorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1c(F)cccc1F)N1CCN(C2CNC2)CC1
InChIInChI=1S/C13H17F2N3O2S/c14-11-2-1-3-12(15)13(11)21(19,20)18-6-4-17(5-7-18)10-8-16-9-10/h1-3,10,16H,4-9H2
InChIKeyWBFFQFBTMUZCMJ-UHFFFAOYSA-N
XLogP0.24
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-4-(2,6-difluorophenyl)sulfonylpiperazine?
The IUPAC name of 1-(azetidin-3-yl)-4-(2,6-difluorophenyl)sulfonylpiperazine (CID 66203131) is 1-(azetidin-3-yl)-4-(2,6-difluorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(azetidin-3-yl)-4-(2,6-difluorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-(azetidin-3-yl)-4-(2,6-difluorophenyl)sulfonylpiperazine is O=S(=O)(c1c(F)cccc1F)N1CCN(C2CNC2)CC1.
What is the InChIKey of 1-(azetidin-3-yl)-4-(2,6-difluorophenyl)sulfonylpiperazine?
The InChIKey is WBFFQFBTMUZCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3O2S/c14-11-2-1-3-12(15)13(11)21(19,20)18-6-4-17(5-7-18)10-8-16-9-10/h1-3,10,16H,4-9H2.
What are the key properties of 1-(azetidin-3-yl)-4-(2,6-difluorophenyl)sulfonylpiperazine?
1-(azetidin-3-yl)-4-(2,6-difluorophenyl)sulfonylpiperazine has a molecular weight of 317.36 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-4-(2,6-difluorophenyl)sulfonylpiperazine is sourced from PubChem (CID 66203131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).