N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1,3-benzodioxole-5-sulfonamide

C14H16N2O5S — CID 110870133

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1,3-benzodioxole-5-sulfonamide
SMILESCc1noc(C)c1CN(C)S(=O)(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H16N2O5S/c1-9-12(10(2)21-15-9)7-16(3)22(17,18)11-4-5-13-14(6-11)20-8-19-13/h4-6H,7-8H2,1-3H3
InChIKeyUIQKTBBHWABWGY-UHFFFAOYSA-N
MW324.36 g/mol
LogP1.84
Rot. Bonds4

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1,3-benzodioxole-5-sulfonamide

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1,3-benzodioxole-5-sulfonamide (PubChem CID 110870133) has the molecular formula C14H16N2O5S and a molecular weight of 324.36 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1,3-benzodioxole-5-sulfonamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1,3-benzodioxole-5-sulfonamide
PubChem CID110870133
Molecular FormulaC14H16N2O5S
Molecular Weight324.36 g/mol
Exact Mass324.08
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1,3-benzodioxole-5-sulfonamide
SMILESCc1noc(C)c1CN(C)S(=O)(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H16N2O5S/c1-9-12(10(2)21-15-9)7-16(3)22(17,18)11-4-5-13-14(6-11)20-8-19-13/h4-6H,7-8H2,1-3H3
InChIKeyUIQKTBBHWABWGY-UHFFFAOYSA-N
XLogP1.84
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1,3-benzodioxole-5-sulfonamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1,3-benzodioxole-5-sulfonamide (CID 110870133) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1,3-benzodioxole-5-sulfonamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1,3-benzodioxole-5-sulfonamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1,3-benzodioxole-5-sulfonamide is Cc1noc(C)c1CN(C)S(=O)(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1,3-benzodioxole-5-sulfonamide?
The InChIKey is UIQKTBBHWABWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5S/c1-9-12(10(2)21-15-9)7-16(3)22(17,18)11-4-5-13-14(6-11)20-8-19-13/h4-6H,7-8H2,1-3H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1,3-benzodioxole-5-sulfonamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1,3-benzodioxole-5-sulfonamide has a molecular weight of 324.36 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1,3-benzodioxole-5-sulfonamide is sourced from PubChem (CID 110870133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).