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

C10H11N3O4S — CID 70495054

IUPAC2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide
SMILESCc1nnc(COc2ccccc2S(N)(=O)=O)o1
InChIInChI=1S/C10H11N3O4S/c1-7-12-13-10(17-7)6-16-8-4-2-3-5-9(8)18(11,14)15/h2-5H,6H2,1H3,(H2,11,14,15)
InChIKeyCVDABQFYFIMOQS-UHFFFAOYSA-N
MW269.28 g/mol
LogP0.60
Rot. Bonds4

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

2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide (PubChem CID 70495054) has the molecular formula C10H11N3O4S and a molecular weight of 269.28 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide
PubChem CID70495054
Molecular FormulaC10H11N3O4S
Molecular Weight269.28 g/mol
Exact Mass269.05
IUPAC Name2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide
SMILESCc1nnc(COc2ccccc2S(N)(=O)=O)o1
InChIInChI=1S/C10H11N3O4S/c1-7-12-13-10(17-7)6-16-8-4-2-3-5-9(8)18(11,14)15/h2-5H,6H2,1H3,(H2,11,14,15)
InChIKeyCVDABQFYFIMOQS-UHFFFAOYSA-N
XLogP0.60
TPSA108.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide?
The IUPAC name of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide (CID 70495054) is 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide.
What is the SMILES notation for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide?
The canonical SMILES for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide is Cc1nnc(COc2ccccc2S(N)(=O)=O)o1.
What is the InChIKey of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide?
The InChIKey is CVDABQFYFIMOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4S/c1-7-12-13-10(17-7)6-16-8-4-2-3-5-9(8)18(11,14)15/h2-5H,6H2,1H3,(H2,11,14,15).
What are the key properties of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide?
2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide has a molecular weight of 269.28 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide is sourced from PubChem (CID 70495054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).