N-(1,3-benzodioxol-5-ylmethyl)benzenesulfonamide

C14H13NO4S — CID 733021

IUPACN-(1,3-benzodioxol-5-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccc2c(c1)OCO2)c1ccccc1
InChIInChI=1S/C14H13NO4S/c16-20(17,12-4-2-1-3-5-12)15-9-11-6-7-13-14(8-11)19-10-18-13/h1-8,15H,9-10H2
InChIKeyYMEAPJBSAMZMRR-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.89
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)benzenesulfonamide

N-(1,3-benzodioxol-5-ylmethyl)benzenesulfonamide (PubChem CID 733021) has the molecular formula C14H13NO4S and a molecular weight of 291.33 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)benzenesulfonamide
PubChem CID733021
Molecular FormulaC14H13NO4S
Molecular Weight291.33 g/mol
Exact Mass291.06
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccc2c(c1)OCO2)c1ccccc1
InChIInChI=1S/C14H13NO4S/c16-20(17,12-4-2-1-3-5-12)15-9-11-6-7-13-14(8-11)19-10-18-13/h1-8,15H,9-10H2
InChIKeyYMEAPJBSAMZMRR-UHFFFAOYSA-N
XLogP1.89
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,3-benzodioxol-5-ylmethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)benzenesulfonamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)benzenesulfonamide (CID 733021) is N-(1,3-benzodioxol-5-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1ccc2c(c1)OCO2)c1ccccc1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)benzenesulfonamide?
The InChIKey is YMEAPJBSAMZMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4S/c16-20(17,12-4-2-1-3-5-12)15-9-11-6-7-13-14(8-11)19-10-18-13/h1-8,15H,9-10H2.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)benzenesulfonamide?
N-(1,3-benzodioxol-5-ylmethyl)benzenesulfonamide has a molecular weight of 291.33 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 733021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).