N-[2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]methanesulfonamide

C12H13F2N3O3S — CID 71975507

IUPACN-[2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]methanesulfonamide
SMILESCC(C)(NS(C)(=O)=O)c1nc(-c2ccc(F)c(F)c2)no1
InChIInChI=1S/C12H13F2N3O3S/c1-12(2,17-21(3,18)19)11-15-10(16-20-11)7-4-5-8(13)9(14)6-7/h4-6,17H,1-3H3
InChIKeyBWYOLOBCVDLVBQ-UHFFFAOYSA-N
MW317.32 g/mol
LogP1.80
Rot. Bonds4

About N-[2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]methanesulfonamide

N-[2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]methanesulfonamide (PubChem CID 71975507) has the molecular formula C12H13F2N3O3S and a molecular weight of 317.32 g/mol. Its IUPAC name is N-[2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]methanesulfonamide
PubChem CID71975507
Molecular FormulaC12H13F2N3O3S
Molecular Weight317.32 g/mol
Exact Mass317.06
IUPAC NameN-[2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]methanesulfonamide
SMILESCC(C)(NS(C)(=O)=O)c1nc(-c2ccc(F)c(F)c2)no1
InChIInChI=1S/C12H13F2N3O3S/c1-12(2,17-21(3,18)19)11-15-10(16-20-11)7-4-5-8(13)9(14)6-7/h4-6,17H,1-3H3
InChIKeyBWYOLOBCVDLVBQ-UHFFFAOYSA-N
XLogP1.80
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]methanesulfonamide?
The IUPAC name of N-[2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]methanesulfonamide (CID 71975507) is N-[2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]methanesulfonamide?
The canonical SMILES for N-[2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]methanesulfonamide is CC(C)(NS(C)(=O)=O)c1nc(-c2ccc(F)c(F)c2)no1.
What is the InChIKey of N-[2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]methanesulfonamide?
The InChIKey is BWYOLOBCVDLVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3O3S/c1-12(2,17-21(3,18)19)11-15-10(16-20-11)7-4-5-8(13)9(14)6-7/h4-6,17H,1-3H3.
What are the key properties of N-[2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]methanesulfonamide?
N-[2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]methanesulfonamide has a molecular weight of 317.32 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]methanesulfonamide is sourced from PubChem (CID 71975507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).