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

C10H9F2N3O4S — CID 107915015

IUPAC3,5-difluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide
SMILESCc1nnc(COc2c(F)cc(F)cc2S(N)(=O)=O)o1
InChIInChI=1S/C10H9F2N3O4S/c1-5-14-15-9(19-5)4-18-10-7(12)2-6(11)3-8(10)20(13,16)17/h2-3H,4H2,1H3,(H2,13,16,17)
InChIKeyOBOHJQQJHISGLG-UHFFFAOYSA-N
MW305.26 g/mol
LogP0.88
Rot. Bonds4

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

3,5-difluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide (PubChem CID 107915015) has the molecular formula C10H9F2N3O4S and a molecular weight of 305.26 g/mol. Its IUPAC name is 3,5-difluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide.

Molecular Properties

Compound Name3,5-difluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide
PubChem CID107915015
Molecular FormulaC10H9F2N3O4S
Molecular Weight305.26 g/mol
Exact Mass305.03
IUPAC Name3,5-difluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide
SMILESCc1nnc(COc2c(F)cc(F)cc2S(N)(=O)=O)o1
InChIInChI=1S/C10H9F2N3O4S/c1-5-14-15-9(19-5)4-18-10-7(12)2-6(11)3-8(10)20(13,16)17/h2-3H,4H2,1H3,(H2,13,16,17)
InChIKeyOBOHJQQJHISGLG-UHFFFAOYSA-N
XLogP0.88
TPSA108.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide?
The IUPAC name of 3,5-difluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide (CID 107915015) is 3,5-difluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide.
What is the SMILES notation for 3,5-difluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide?
The canonical SMILES for 3,5-difluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide is Cc1nnc(COc2c(F)cc(F)cc2S(N)(=O)=O)o1.
What is the InChIKey of 3,5-difluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide?
The InChIKey is OBOHJQQJHISGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O4S/c1-5-14-15-9(19-5)4-18-10-7(12)2-6(11)3-8(10)20(13,16)17/h2-3H,4H2,1H3,(H2,13,16,17).
What are the key properties of 3,5-difluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide?
3,5-difluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide has a molecular weight of 305.26 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide is sourced from PubChem (CID 107915015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).