6-benzyl-N-methyl-1,3-benzodioxole-5-sulfonamide

C15H15NO4S — CID 10267089

IUPAC6-benzyl-N-methyl-1,3-benzodioxole-5-sulfonamide
SMILESCNS(=O)(=O)c1cc2c(cc1Cc1ccccc1)OCO2
InChIInChI=1S/C15H15NO4S/c1-16-21(17,18)15-9-14-13(19-10-20-14)8-12(15)7-11-5-3-2-4-6-11/h2-6,8-9,16H,7,10H2,1H3
InChIKeyFSULBWGIEPEIRN-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.91
Rot. Bonds4

About 6-benzyl-N-methyl-1,3-benzodioxole-5-sulfonamide

6-benzyl-N-methyl-1,3-benzodioxole-5-sulfonamide (PubChem CID 10267089) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is 6-benzyl-N-methyl-1,3-benzodioxole-5-sulfonamide.

Molecular Properties

Compound Name6-benzyl-N-methyl-1,3-benzodioxole-5-sulfonamide
PubChem CID10267089
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name6-benzyl-N-methyl-1,3-benzodioxole-5-sulfonamide
SMILESCNS(=O)(=O)c1cc2c(cc1Cc1ccccc1)OCO2
InChIInChI=1S/C15H15NO4S/c1-16-21(17,18)15-9-14-13(19-10-20-14)8-12(15)7-11-5-3-2-4-6-11/h2-6,8-9,16H,7,10H2,1H3
InChIKeyFSULBWGIEPEIRN-UHFFFAOYSA-N
XLogP1.91
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-N-methyl-1,3-benzodioxole-5-sulfonamide?
The IUPAC name of 6-benzyl-N-methyl-1,3-benzodioxole-5-sulfonamide (CID 10267089) is 6-benzyl-N-methyl-1,3-benzodioxole-5-sulfonamide.
What is the SMILES notation for 6-benzyl-N-methyl-1,3-benzodioxole-5-sulfonamide?
The canonical SMILES for 6-benzyl-N-methyl-1,3-benzodioxole-5-sulfonamide is CNS(=O)(=O)c1cc2c(cc1Cc1ccccc1)OCO2.
What is the InChIKey of 6-benzyl-N-methyl-1,3-benzodioxole-5-sulfonamide?
The InChIKey is FSULBWGIEPEIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-16-21(17,18)15-9-14-13(19-10-20-14)8-12(15)7-11-5-3-2-4-6-11/h2-6,8-9,16H,7,10H2,1H3.
What are the key properties of 6-benzyl-N-methyl-1,3-benzodioxole-5-sulfonamide?
6-benzyl-N-methyl-1,3-benzodioxole-5-sulfonamide has a molecular weight of 305.36 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-N-methyl-1,3-benzodioxole-5-sulfonamide is sourced from PubChem (CID 10267089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).