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

C11H12FN3O5S2 — CID 9188302

IUPAC1-(2-fluorophenyl)-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]methanesulfonamide
SMILESCS(=O)(=O)c1nnc(CNS(=O)(=O)Cc2ccccc2F)o1
InChIInChI=1S/C11H12FN3O5S2/c1-21(16,17)11-15-14-10(20-11)6-13-22(18,19)7-8-4-2-3-5-9(8)12/h2-5,13H,6-7H2,1H3
InChIKeyYJBXCNVMGSUWCR-UHFFFAOYSA-N
MW349.37 g/mol
LogP0.23
Rot. Bonds6

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

1-(2-fluorophenyl)-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]methanesulfonamide (PubChem CID 9188302) has the molecular formula C11H12FN3O5S2 and a molecular weight of 349.37 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]methanesulfonamide
PubChem CID9188302
Molecular FormulaC11H12FN3O5S2
Molecular Weight349.37 g/mol
Exact Mass349.02
IUPAC Name1-(2-fluorophenyl)-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]methanesulfonamide
SMILESCS(=O)(=O)c1nnc(CNS(=O)(=O)Cc2ccccc2F)o1
InChIInChI=1S/C11H12FN3O5S2/c1-21(16,17)11-15-14-10(20-11)6-13-22(18,19)7-8-4-2-3-5-9(8)12/h2-5,13H,6-7H2,1H3
InChIKeyYJBXCNVMGSUWCR-UHFFFAOYSA-N
XLogP0.23
TPSA119.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]methanesulfonamide (CID 9188302) is 1-(2-fluorophenyl)-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]methanesulfonamide is CS(=O)(=O)c1nnc(CNS(=O)(=O)Cc2ccccc2F)o1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]methanesulfonamide?
The InChIKey is YJBXCNVMGSUWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O5S2/c1-21(16,17)11-15-14-10(20-11)6-13-22(18,19)7-8-4-2-3-5-9(8)12/h2-5,13H,6-7H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]methanesulfonamide?
1-(2-fluorophenyl)-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]methanesulfonamide has a molecular weight of 349.37 g/mol, XLogP of 0.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]methanesulfonamide is sourced from PubChem (CID 9188302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).