N-[2-(2,4-difluorophenoxy)-4-(3-ethylsulfanyl-1,2,4-oxadiazol-5-yl)phenyl]methanesulfonamide

C17H15F2N3O4S2 — CID 10094038

IUPACN-[2-(2,4-difluorophenoxy)-4-(3-ethylsulfanyl-1,2,4-oxadiazol-5-yl)phenyl]methanesulfonamide
SMILESCCSc1noc(-c2ccc(NS(C)(=O)=O)c(Oc3ccc(F)cc3F)c2)n1
InChIInChI=1S/C17H15F2N3O4S2/c1-3-27-17-20-16(26-21-17)10-4-6-13(22-28(2,23)24)15(8-10)25-14-7-5-11(18)9-12(14)19/h4-9,22H,3H2,1-2H3
InChIKeyXPFRPCORKIRVFO-UHFFFAOYSA-N
MW427.45 g/mol
LogP4.29
Rot. Bonds7

About N-[2-(2,4-difluorophenoxy)-4-(3-ethylsulfanyl-1,2,4-oxadiazol-5-yl)phenyl]methanesulfonamide

N-[2-(2,4-difluorophenoxy)-4-(3-ethylsulfanyl-1,2,4-oxadiazol-5-yl)phenyl]methanesulfonamide (PubChem CID 10094038) has the molecular formula C17H15F2N3O4S2 and a molecular weight of 427.45 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenoxy)-4-(3-ethylsulfanyl-1,2,4-oxadiazol-5-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenoxy)-4-(3-ethylsulfanyl-1,2,4-oxadiazol-5-yl)phenyl]methanesulfonamide
PubChem CID10094038
Molecular FormulaC17H15F2N3O4S2
Molecular Weight427.45 g/mol
Exact Mass427.05
IUPAC NameN-[2-(2,4-difluorophenoxy)-4-(3-ethylsulfanyl-1,2,4-oxadiazol-5-yl)phenyl]methanesulfonamide
SMILESCCSc1noc(-c2ccc(NS(C)(=O)=O)c(Oc3ccc(F)cc3F)c2)n1
InChIInChI=1S/C17H15F2N3O4S2/c1-3-27-17-20-16(26-21-17)10-4-6-13(22-28(2,23)24)15(8-10)25-14-7-5-11(18)9-12(14)19/h4-9,22H,3H2,1-2H3
InChIKeyXPFRPCORKIRVFO-UHFFFAOYSA-N
XLogP4.29
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.45
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenoxy)-4-(3-ethylsulfanyl-1,2,4-oxadiazol-5-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[2-(2,4-difluorophenoxy)-4-(3-ethylsulfanyl-1,2,4-oxadiazol-5-yl)phenyl]methanesulfonamide (CID 10094038) is N-[2-(2,4-difluorophenoxy)-4-(3-ethylsulfanyl-1,2,4-oxadiazol-5-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-(2,4-difluorophenoxy)-4-(3-ethylsulfanyl-1,2,4-oxadiazol-5-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[2-(2,4-difluorophenoxy)-4-(3-ethylsulfanyl-1,2,4-oxadiazol-5-yl)phenyl]methanesulfonamide is CCSc1noc(-c2ccc(NS(C)(=O)=O)c(Oc3ccc(F)cc3F)c2)n1.
What is the InChIKey of N-[2-(2,4-difluorophenoxy)-4-(3-ethylsulfanyl-1,2,4-oxadiazol-5-yl)phenyl]methanesulfonamide?
The InChIKey is XPFRPCORKIRVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O4S2/c1-3-27-17-20-16(26-21-17)10-4-6-13(22-28(2,23)24)15(8-10)25-14-7-5-11(18)9-12(14)19/h4-9,22H,3H2,1-2H3.
What are the key properties of N-[2-(2,4-difluorophenoxy)-4-(3-ethylsulfanyl-1,2,4-oxadiazol-5-yl)phenyl]methanesulfonamide?
N-[2-(2,4-difluorophenoxy)-4-(3-ethylsulfanyl-1,2,4-oxadiazol-5-yl)phenyl]methanesulfonamide has a molecular weight of 427.45 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenoxy)-4-(3-ethylsulfanyl-1,2,4-oxadiazol-5-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 10094038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).