2-methyl-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonamide

C10H11N3O4S — CID 82914582

IUPAC2-methyl-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonamide
SMILESCc1cc(OCc2ncon2)ccc1S(N)(=O)=O
InChIInChI=1S/C10H11N3O4S/c1-7-4-8(2-3-9(7)18(11,14)15)16-5-10-12-6-17-13-10/h2-4,6H,5H2,1H3,(H2,11,14,15)
InChIKeyHUHZHAVBBDGDPI-UHFFFAOYSA-N
MW269.28 g/mol
LogP0.60
Rot. Bonds4

About 2-methyl-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonamide

2-methyl-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonamide (PubChem CID 82914582) has the molecular formula C10H11N3O4S and a molecular weight of 269.28 g/mol. Its IUPAC name is 2-methyl-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonamide
PubChem CID82914582
Molecular FormulaC10H11N3O4S
Molecular Weight269.28 g/mol
Exact Mass269.05
IUPAC Name2-methyl-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonamide
SMILESCc1cc(OCc2ncon2)ccc1S(N)(=O)=O
InChIInChI=1S/C10H11N3O4S/c1-7-4-8(2-3-9(7)18(11,14)15)16-5-10-12-6-17-13-10/h2-4,6H,5H2,1H3,(H2,11,14,15)
InChIKeyHUHZHAVBBDGDPI-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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Related Compounds

3-[(3-fluoro-4-methylphenoxy)methyl]-1,2,4-oxadiazole
CID 107171304
2-methyl-5-nitro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonamide
CID 82913703
4-(2-fluoroethoxy)-2-methylbenzenesulfonamide
CID 80694123
4-[(E)-3-chloroprop-2-enoxy]-2-methylbenzenesulfonamide
CID 82914363
3-tert-butyl-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonamide
CID 82913600
2-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide
CID 82915625
3-methyl-5-(1,2,4-oxadiazol-3-ylmethoxy)phenol
CID 107679961
4-(3-ethoxyphenoxy)-2-methylbenzenesulfonamide
CID 62337650
4-(1,2,4-oxadiazol-3-ylmethoxy)-3-propan-2-ylbenzenesulfonamide
CID 82914595
4-(3,4-dimethylphenoxy)-2-methylbenzenesulfonamide
CID 43436537
4-(4-cyanobutoxy)-2-methylbenzenesulfonamide
CID 82914658
[5-(1,2,4-oxadiazol-3-ylmethoxy)-2-pyridinyl]methanamine
CID 79788312

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonamide?
The IUPAC name of 2-methyl-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonamide (CID 82914582) is 2-methyl-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonamide.
What is the SMILES notation for 2-methyl-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonamide?
The canonical SMILES for 2-methyl-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonamide is Cc1cc(OCc2ncon2)ccc1S(N)(=O)=O.
What is the InChIKey of 2-methyl-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonamide?
The InChIKey is HUHZHAVBBDGDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4S/c1-7-4-8(2-3-9(7)18(11,14)15)16-5-10-12-6-17-13-10/h2-4,6H,5H2,1H3,(H2,11,14,15).
What are the key properties of 2-methyl-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonamide?
2-methyl-4-(1,2,4-oxadiazol-3-ylmethoxy)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-methyl-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonamide is sourced from PubChem (CID 82914582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).