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

C13H17N3O4S — CID 82913829

IUPAC4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-3-propan-2-ylbenzenesulfonamide
SMILESCc1noc(COc2ccc(S(N)(=O)=O)cc2C(C)C)n1
InChIInChI=1S/C13H17N3O4S/c1-8(2)11-6-10(21(14,17)18)4-5-12(11)19-7-13-15-9(3)16-20-13/h4-6,8H,7H2,1-3H3,(H2,14,17,18)
InChIKeyUEYULCYBZZUGJQ-UHFFFAOYSA-N
MW311.36 g/mol
LogP1.73
Rot. Bonds5

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

4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-3-propan-2-ylbenzenesulfonamide (PubChem CID 82913829) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is 4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-3-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-3-propan-2-ylbenzenesulfonamide
PubChem CID82913829
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC Name4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-3-propan-2-ylbenzenesulfonamide
SMILESCc1noc(COc2ccc(S(N)(=O)=O)cc2C(C)C)n1
InChIInChI=1S/C13H17N3O4S/c1-8(2)11-6-10(21(14,17)18)4-5-12(11)19-7-13-15-9(3)16-20-13/h4-6,8H,7H2,1-3H3,(H2,14,17,18)
InChIKeyUEYULCYBZZUGJQ-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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Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-3-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-3-propan-2-ylbenzenesulfonamide (CID 82913829) is 4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-3-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-3-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-3-propan-2-ylbenzenesulfonamide is Cc1noc(COc2ccc(S(N)(=O)=O)cc2C(C)C)n1.
What is the InChIKey of 4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-3-propan-2-ylbenzenesulfonamide?
The InChIKey is UEYULCYBZZUGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S/c1-8(2)11-6-10(21(14,17)18)4-5-12(11)19-7-13-15-9(3)16-20-13/h4-6,8H,7H2,1-3H3,(H2,14,17,18).
What are the key properties of 4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-3-propan-2-ylbenzenesulfonamide?
4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-3-propan-2-ylbenzenesulfonamide 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 4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-3-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 82913829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).