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

C10H10FN3O4S — CID 107914999

IUPAC3-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide
SMILESCc1nnc(COc2ccc(S(N)(=O)=O)cc2F)o1
InChIInChI=1S/C10H10FN3O4S/c1-6-13-14-10(18-6)5-17-9-3-2-7(4-8(9)11)19(12,15)16/h2-4H,5H2,1H3,(H2,12,15,16)
InChIKeyOUQXHEXMIGDJAL-UHFFFAOYSA-N
MW287.27 g/mol
LogP0.74
Rot. Bonds4

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

3-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide (PubChem CID 107914999) has the molecular formula C10H10FN3O4S and a molecular weight of 287.27 g/mol. Its IUPAC name is 3-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide
PubChem CID107914999
Molecular FormulaC10H10FN3O4S
Molecular Weight287.27 g/mol
Exact Mass287.04
IUPAC Name3-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide
SMILESCc1nnc(COc2ccc(S(N)(=O)=O)cc2F)o1
InChIInChI=1S/C10H10FN3O4S/c1-6-13-14-10(18-6)5-17-9-3-2-7(4-8(9)11)19(12,15)16/h2-4H,5H2,1H3,(H2,12,15,16)
InChIKeyOUQXHEXMIGDJAL-UHFFFAOYSA-N
XLogP0.74
TPSA108.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide?
The IUPAC name of 3-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide (CID 107914999) is 3-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide is Cc1nnc(COc2ccc(S(N)(=O)=O)cc2F)o1.
What is the InChIKey of 3-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide?
The InChIKey is OUQXHEXMIGDJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O4S/c1-6-13-14-10(18-6)5-17-9-3-2-7(4-8(9)11)19(12,15)16/h2-4H,5H2,1H3,(H2,12,15,16).
What are the key properties of 3-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide?
3-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide has a molecular weight of 287.27 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide is sourced from PubChem (CID 107914999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).