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

C11H12FN3O5S2 — CID 9188332

IUPAC2-fluoro-5-methyl-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc(F)c(S(=O)(=O)NCc2nnc(S(C)(=O)=O)o2)c1
InChIInChI=1S/C11H12FN3O5S2/c1-7-3-4-8(12)9(5-7)22(18,19)13-6-10-14-15-11(20-10)21(2,16)17/h3-5,13H,6H2,1-2H3
InChIKeyVMMNKHPMMCRTPE-UHFFFAOYSA-N
MW349.37 g/mol
LogP0.40
Rot. Bonds5

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

2-fluoro-5-methyl-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide (PubChem CID 9188332) has the molecular formula C11H12FN3O5S2 and a molecular weight of 349.37 g/mol. Its IUPAC name is 2-fluoro-5-methyl-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-5-methyl-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
PubChem CID9188332
Molecular FormulaC11H12FN3O5S2
Molecular Weight349.37 g/mol
Exact Mass349.02
IUPAC Name2-fluoro-5-methyl-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc(F)c(S(=O)(=O)NCc2nnc(S(C)(=O)=O)o2)c1
InChIInChI=1S/C11H12FN3O5S2/c1-7-3-4-8(12)9(5-7)22(18,19)13-6-10-14-15-11(20-10)21(2,16)17/h3-5,13H,6H2,1-2H3
InChIKeyVMMNKHPMMCRTPE-UHFFFAOYSA-N
XLogP0.40
TPSA119.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-5-methyl-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide (CID 9188332) is 2-fluoro-5-methyl-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-5-methyl-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-5-methyl-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide is Cc1ccc(F)c(S(=O)(=O)NCc2nnc(S(C)(=O)=O)o2)c1.
What is the InChIKey of 2-fluoro-5-methyl-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is VMMNKHPMMCRTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O5S2/c1-7-3-4-8(12)9(5-7)22(18,19)13-6-10-14-15-11(20-10)21(2,16)17/h3-5,13H,6H2,1-2H3.
What are the key properties of 2-fluoro-5-methyl-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide?
2-fluoro-5-methyl-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 349.37 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 9188332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).