4-(2,4-difluorophenyl)sulfonyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one

C14H14F2N4O4S — CID 146069950

IUPAC4-(2,4-difluorophenyl)sulfonyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one
SMILESCc1noc(CC2C(=O)NCCN2S(=O)(=O)c2ccc(F)cc2F)n1
InChIInChI=1S/C14H14F2N4O4S/c1-8-18-13(24-19-8)7-11-14(21)17-4-5-20(11)25(22,23)12-3-2-9(15)6-10(12)16/h2-3,6,11H,4-5,7H2,1H3,(H,17,21)
InChIKeyJACFEQFIMJVNGH-UHFFFAOYSA-N
MW372.35 g/mol
LogP0.39
Rot. Bonds4

About 4-(2,4-difluorophenyl)sulfonyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one

4-(2,4-difluorophenyl)sulfonyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one (PubChem CID 146069950) has the molecular formula C14H14F2N4O4S and a molecular weight of 372.35 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)sulfonyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)sulfonyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one
PubChem CID146069950
Molecular FormulaC14H14F2N4O4S
Molecular Weight372.35 g/mol
Exact Mass372.07
IUPAC Name4-(2,4-difluorophenyl)sulfonyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one
SMILESCc1noc(CC2C(=O)NCCN2S(=O)(=O)c2ccc(F)cc2F)n1
InChIInChI=1S/C14H14F2N4O4S/c1-8-18-13(24-19-8)7-11-14(21)17-4-5-20(11)25(22,23)12-3-2-9(15)6-10(12)16/h2-3,6,11H,4-5,7H2,1H3,(H,17,21)
InChIKeyJACFEQFIMJVNGH-UHFFFAOYSA-N
XLogP0.39
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)sulfonyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one?
The IUPAC name of 4-(2,4-difluorophenyl)sulfonyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one (CID 146069950) is 4-(2,4-difluorophenyl)sulfonyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one.
What is the SMILES notation for 4-(2,4-difluorophenyl)sulfonyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one?
The canonical SMILES for 4-(2,4-difluorophenyl)sulfonyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one is Cc1noc(CC2C(=O)NCCN2S(=O)(=O)c2ccc(F)cc2F)n1.
What is the InChIKey of 4-(2,4-difluorophenyl)sulfonyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one?
The InChIKey is JACFEQFIMJVNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4O4S/c1-8-18-13(24-19-8)7-11-14(21)17-4-5-20(11)25(22,23)12-3-2-9(15)6-10(12)16/h2-3,6,11H,4-5,7H2,1H3,(H,17,21).
What are the key properties of 4-(2,4-difluorophenyl)sulfonyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one?
4-(2,4-difluorophenyl)sulfonyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one has a molecular weight of 372.35 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)sulfonyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one is sourced from PubChem (CID 146069950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).