N-(1,3-benzodioxol-5-yl)-4-methoxy-3-methylbenzenesulfonamide

C15H15NO5S — CID 975684

IUPACN-(1,3-benzodioxol-5-yl)-4-methoxy-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1C
InChIInChI=1S/C15H15NO5S/c1-10-7-12(4-6-13(10)19-2)22(17,18)16-11-3-5-14-15(8-11)21-9-20-14/h3-8,16H,9H2,1-2H3
InChIKeyWEGONMKAUZEYAD-UHFFFAOYSA-N
MW321.35 g/mol
LogP2.53
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-4-methoxy-3-methylbenzenesulfonamide

N-(1,3-benzodioxol-5-yl)-4-methoxy-3-methylbenzenesulfonamide (PubChem CID 975684) has the molecular formula C15H15NO5S and a molecular weight of 321.35 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-methoxy-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-methoxy-3-methylbenzenesulfonamide
PubChem CID975684
Molecular FormulaC15H15NO5S
Molecular Weight321.35 g/mol
Exact Mass321.07
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-methoxy-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1C
InChIInChI=1S/C15H15NO5S/c1-10-7-12(4-6-13(10)19-2)22(17,18)16-11-3-5-14-15(8-11)21-9-20-14/h3-8,16H,9H2,1-2H3
InChIKeyWEGONMKAUZEYAD-UHFFFAOYSA-N
XLogP2.53
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_C(5)', 'substructure': 'N/A'}

Analyze N-(1,3-benzodioxol-5-yl)-4-methoxy-3-methylbenzenesulfonamide 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-yl)-4-methoxy-3-methylbenzenesulfonamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-methoxy-3-methylbenzenesulfonamide (CID 975684) is N-(1,3-benzodioxol-5-yl)-4-methoxy-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-methoxy-3-methylbenzenesulfonamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-methoxy-3-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1C.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-methoxy-3-methylbenzenesulfonamide?
The InChIKey is WEGONMKAUZEYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5S/c1-10-7-12(4-6-13(10)19-2)22(17,18)16-11-3-5-14-15(8-11)21-9-20-14/h3-8,16H,9H2,1-2H3.
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-methoxy-3-methylbenzenesulfonamide?
N-(1,3-benzodioxol-5-yl)-4-methoxy-3-methylbenzenesulfonamide has a molecular weight of 321.35 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-4-methoxy-3-methylbenzenesulfonamide is sourced from PubChem (CID 975684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).