5-[(1S)-1-(2,5-difluorophenyl)sulfonylethyl]-3-methyl-1,2,4-oxadiazole

C11H10F2N2O3S — CID 94027334

IUPAC5-[(1S)-1-(2,5-difluorophenyl)sulfonylethyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc([C@H](C)S(=O)(=O)c2cc(F)ccc2F)n1
InChIInChI=1S/C11H10F2N2O3S/c1-6(11-14-7(2)15-18-11)19(16,17)10-5-8(12)3-4-9(10)13/h3-6H,1-2H3/t6-/m0/s1
InChIKeyIPYXAWMRTZOSMU-LURJTMIESA-N
MW288.28 g/mol
LogP2.19
Rot. Bonds3

About 5-[(1S)-1-(2,5-difluorophenyl)sulfonylethyl]-3-methyl-1,2,4-oxadiazole

5-[(1S)-1-(2,5-difluorophenyl)sulfonylethyl]-3-methyl-1,2,4-oxadiazole (PubChem CID 94027334) has the molecular formula C11H10F2N2O3S and a molecular weight of 288.28 g/mol. Its IUPAC name is 5-[(1S)-1-(2,5-difluorophenyl)sulfonylethyl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1S)-1-(2,5-difluorophenyl)sulfonylethyl]-3-methyl-1,2,4-oxadiazole
PubChem CID94027334
Molecular FormulaC11H10F2N2O3S
Molecular Weight288.28 g/mol
Exact Mass288.04
IUPAC Name5-[(1S)-1-(2,5-difluorophenyl)sulfonylethyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc([C@H](C)S(=O)(=O)c2cc(F)ccc2F)n1
InChIInChI=1S/C11H10F2N2O3S/c1-6(11-14-7(2)15-18-11)19(16,17)10-5-8(12)3-4-9(10)13/h3-6H,1-2H3/t6-/m0/s1
InChIKeyIPYXAWMRTZOSMU-LURJTMIESA-N
XLogP2.19
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-benzylsulfonylethyl)-3-methyl-1,2,4-oxadiazole
CID 47206683
2,5-difluorobenzenesulfonic acid;hydrochloride
CID 174777821
N-(1-bromopropan-2-yl)-2,5-difluoro-N-methylbenzenesulfonamide
CID 104556434
5-[1-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 60540937
5-[(1S)-1-[(R)-(2-fluorophenyl)methylsulfinyl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 95617084
(2,5-difluorophenyl)-imino-methyl-oxo-λ6-sulfane
CID 125424666
2-(2,5-difluorophenyl)sulfonyl-N-ethylpentan-3-amine
CID 64645532
N-(2,5-difluorophenyl)-2-(2,5-difluorophenyl)sulfonylpropanamide
CID 42962648
3-amino-2-(2,5-difluorophenyl)sulfonylpropanoic acid
CID 64695884
(3R)-3-amino-4-(2,5-difluorophenyl)-1-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 44561120
5-fluoro-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide
CID 82916948
N-[2-[di(propan-2-yl)amino]ethyl]-2,5-difluorobenzenesulfonamide
CID 78808057

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-(2,5-difluorophenyl)sulfonylethyl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(1S)-1-(2,5-difluorophenyl)sulfonylethyl]-3-methyl-1,2,4-oxadiazole (CID 94027334) is 5-[(1S)-1-(2,5-difluorophenyl)sulfonylethyl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1S)-1-(2,5-difluorophenyl)sulfonylethyl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1S)-1-(2,5-difluorophenyl)sulfonylethyl]-3-methyl-1,2,4-oxadiazole is Cc1noc([C@H](C)S(=O)(=O)c2cc(F)ccc2F)n1.
What is the InChIKey of 5-[(1S)-1-(2,5-difluorophenyl)sulfonylethyl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is IPYXAWMRTZOSMU-LURJTMIESA-N. The full InChI is InChI=1S/C11H10F2N2O3S/c1-6(11-14-7(2)15-18-11)19(16,17)10-5-8(12)3-4-9(10)13/h3-6H,1-2H3/t6-/m0/s1.
What are the key properties of 5-[(1S)-1-(2,5-difluorophenyl)sulfonylethyl]-3-methyl-1,2,4-oxadiazole?
5-[(1S)-1-(2,5-difluorophenyl)sulfonylethyl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 288.28 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-(2,5-difluorophenyl)sulfonylethyl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 94027334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).