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

C13H17N3O4S — CID 82910957

IUPAC3-methyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)ccc1OCc1noc(C(C)C)n1
InChIInChI=1S/C13H17N3O4S/c1-8(2)13-15-12(16-20-13)7-19-11-5-4-10(6-9(11)3)21(14,17)18/h4-6,8H,7H2,1-3H3,(H2,14,17,18)
InChIKeyHLBIQELJYSHKPG-UHFFFAOYSA-N
MW311.36 g/mol
LogP1.73
Rot. Bonds5

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

3-methyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide (PubChem CID 82910957) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is 3-methyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide
PubChem CID82910957
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC Name3-methyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)ccc1OCc1noc(C(C)C)n1
InChIInChI=1S/C13H17N3O4S/c1-8(2)13-15-12(16-20-13)7-19-11-5-4-10(6-9(11)3)21(14,17)18/h4-6,8H,7H2,1-3H3,(H2,14,17,18)
InChIKeyHLBIQELJYSHKPG-UHFFFAOYSA-N
XLogP1.73
TPSA108.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride
CID 82911303
5-bromo-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide
CID 82916766
5-fluoro-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide
CID 82916948
1-[5-methyl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine
CID 63325984
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-5-sulfamoylbenzoic acid
CID 82913263
5-chloro-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzaldehyde
CID 61497406
4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-3-propan-2-ylbenzenesulfonamide
CID 82913829
3-bromo-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide
CID 82912805
3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]naphthalen-2-ol
CID 61497370
3-methyl-4-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzenesulfonamide
CID 64773470
4-(1,2,4-oxadiazol-3-ylmethoxy)-3-propan-2-ylbenzenesulfonamide
CID 82914595
[4-methoxy-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
CID 61496889

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide?
The IUPAC name of 3-methyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide (CID 82910957) is 3-methyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide.
What is the SMILES notation for 3-methyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide?
The canonical SMILES for 3-methyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide is Cc1cc(S(N)(=O)=O)ccc1OCc1noc(C(C)C)n1.
What is the InChIKey of 3-methyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide?
The InChIKey is HLBIQELJYSHKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S/c1-8(2)13-15-12(16-20-13)7-19-11-5-4-10(6-9(11)3)21(14,17)18/h4-6,8H,7H2,1-3H3,(H2,14,17,18).
What are the key properties of 3-methyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide?
3-methyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide has a molecular weight of 311.36 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide is sourced from PubChem (CID 82910957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).