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

C11H12FN3O3S2 — CID 1438555

IUPACN-[[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1nnc(SCc2ccccc2F)o1
InChIInChI=1S/C11H12FN3O3S2/c1-20(16,17)13-6-10-14-15-11(18-10)19-7-8-4-2-3-5-9(8)12/h2-5,13H,6-7H2,1H3
InChIKeyKSXMVNHECDCQKZ-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.55
Rot. Bonds6

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

N-[[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide (PubChem CID 1438555) has the molecular formula C11H12FN3O3S2 and a molecular weight of 317.37 g/mol. Its IUPAC name is N-[[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide
PubChem CID1438555
Molecular FormulaC11H12FN3O3S2
Molecular Weight317.37 g/mol
Exact Mass317.03
IUPAC NameN-[[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1nnc(SCc2ccccc2F)o1
InChIInChI=1S/C11H12FN3O3S2/c1-20(16,17)13-6-10-14-15-11(18-10)19-7-8-4-2-3-5-9(8)12/h2-5,13H,6-7H2,1H3
InChIKeyKSXMVNHECDCQKZ-UHFFFAOYSA-N
XLogP1.55
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide (CID 1438555) is N-[[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide is CS(=O)(=O)NCc1nnc(SCc2ccccc2F)o1.
What is the InChIKey of N-[[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide?
The InChIKey is KSXMVNHECDCQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O3S2/c1-20(16,17)13-6-10-14-15-11(18-10)19-7-8-4-2-3-5-9(8)12/h2-5,13H,6-7H2,1H3.
What are the key properties of N-[[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide?
N-[[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide has a molecular weight of 317.37 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 1438555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).