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

C12H15N3O4S — CID 82922072

IUPAC2,3-dimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide
SMILESCc1nc(COc2ccc(S(N)(=O)=O)c(C)c2C)no1
InChIInChI=1S/C12H15N3O4S/c1-7-8(2)11(20(13,16)17)5-4-10(7)18-6-12-14-9(3)19-15-12/h4-5H,6H2,1-3H3,(H2,13,16,17)
InChIKeyOGRKVNOMECDEAQ-UHFFFAOYSA-N
MW297.34 g/mol
LogP1.22
Rot. Bonds4

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

2,3-dimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide (PubChem CID 82922072) has the molecular formula C12H15N3O4S and a molecular weight of 297.34 g/mol. Its IUPAC name is 2,3-dimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide.

Molecular Properties

Compound Name2,3-dimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide
PubChem CID82922072
Molecular FormulaC12H15N3O4S
Molecular Weight297.34 g/mol
Exact Mass297.08
IUPAC Name2,3-dimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide
SMILESCc1nc(COc2ccc(S(N)(=O)=O)c(C)c2C)no1
InChIInChI=1S/C12H15N3O4S/c1-7-8(2)11(20(13,16)17)5-4-10(7)18-6-12-14-9(3)19-15-12/h4-5H,6H2,1-3H3,(H2,13,16,17)
InChIKeyOGRKVNOMECDEAQ-UHFFFAOYSA-N
XLogP1.22
TPSA108.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-3-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide
CID 82920902
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-5-sulfamoylbenzoic acid
CID 82913263
4-ethoxy-2,3-dimethylbenzenesulfonamide
CID 43164397
2,3-dimethyl-4-phenylmethoxybenzenesulfonamide
CID 43342343
2,3,5-trimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride
CID 82911706
5-bromo-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide
CID 82916766
[3-bromo-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
CID 63047206
5-fluoro-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide
CID 82916948
2,3-dimethyl-4-prop-2-enoxybenzenesulfonamide
CID 82922074
3-methyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide
CID 82910957
2-[6-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]ethanamine
CID 79169644
1-[5-bromo-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 62370024

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide?
The IUPAC name of 2,3-dimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide (CID 82922072) is 2,3-dimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide.
What is the SMILES notation for 2,3-dimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide?
The canonical SMILES for 2,3-dimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide is Cc1nc(COc2ccc(S(N)(=O)=O)c(C)c2C)no1.
What is the InChIKey of 2,3-dimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide?
The InChIKey is OGRKVNOMECDEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S/c1-7-8(2)11(20(13,16)17)5-4-10(7)18-6-12-14-9(3)19-15-12/h4-5H,6H2,1-3H3,(H2,13,16,17).
What are the key properties of 2,3-dimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide?
2,3-dimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide has a molecular weight of 297.34 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide is sourced from PubChem (CID 82922072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).