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

C16H13F2N3O3S — CID 2742984

IUPACN-[2-[5-[(3,5-difluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1-c1nnc(Cc2cc(F)cc(F)c2)o1
InChIInChI=1S/C16H13F2N3O3S/c1-25(22,23)21-14-5-3-2-4-13(14)16-20-19-15(24-16)8-10-6-11(17)9-12(18)7-10/h2-7,9,21H,8H2,1H3
InChIKeyYBRDAEZQYFMICC-UHFFFAOYSA-N
MW365.36 g/mol
LogP2.98
Rot. Bonds5

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

N-[2-[5-[(3,5-difluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide (PubChem CID 2742984) has the molecular formula C16H13F2N3O3S and a molecular weight of 365.36 g/mol. Its IUPAC name is N-[2-[5-[(3,5-difluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[5-[(3,5-difluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide
PubChem CID2742984
Molecular FormulaC16H13F2N3O3S
Molecular Weight365.36 g/mol
Exact Mass365.06
IUPAC NameN-[2-[5-[(3,5-difluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1-c1nnc(Cc2cc(F)cc(F)c2)o1
InChIInChI=1S/C16H13F2N3O3S/c1-25(22,23)21-14-5-3-2-4-13(14)16-20-19-15(24-16)8-10-6-11(17)9-12(18)7-10/h2-7,9,21H,8H2,1H3
InChIKeyYBRDAEZQYFMICC-UHFFFAOYSA-N
XLogP2.98
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[(3,5-difluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[5-[(3,5-difluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide (CID 2742984) is N-[2-[5-[(3,5-difluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[5-[(3,5-difluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[5-[(3,5-difluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccccc1-c1nnc(Cc2cc(F)cc(F)c2)o1.
What is the InChIKey of N-[2-[5-[(3,5-difluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide?
The InChIKey is YBRDAEZQYFMICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O3S/c1-25(22,23)21-14-5-3-2-4-13(14)16-20-19-15(24-16)8-10-6-11(17)9-12(18)7-10/h2-7,9,21H,8H2,1H3.
What are the key properties of N-[2-[5-[(3,5-difluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide?
N-[2-[5-[(3,5-difluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide has a molecular weight of 365.36 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[(3,5-difluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 2742984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).