N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylbenzenesulfonamide

C15H15NO4S — CID 889110

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C15H15NO4S/c1-11-3-2-4-13(9-11)21(17,18)16-12-5-6-14-15(10-12)20-8-7-19-14/h2-6,9-10,16H,7-8H2,1H3
InChIKeyDVZIFZCRHHMODV-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.57
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylbenzenesulfonamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylbenzenesulfonamide (PubChem CID 889110) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylbenzenesulfonamide
PubChem CID889110
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C15H15NO4S/c1-11-3-2-4-13(9-11)21(17,18)16-12-5-6-14-15(10-12)20-8-7-19-14/h2-6,9-10,16H,7-8H2,1H3
InChIKeyDVZIFZCRHHMODV-UHFFFAOYSA-N
XLogP2.57
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-yl)-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-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylbenzenesulfonamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylbenzenesulfonamide (CID 889110) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylbenzenesulfonamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylbenzenesulfonamide?
The InChIKey is DVZIFZCRHHMODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-11-3-2-4-13(9-11)21(17,18)16-12-5-6-14-15(10-12)20-8-7-19-14/h2-6,9-10,16H,7-8H2,1H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylbenzenesulfonamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylbenzenesulfonamide has a molecular weight of 305.36 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 889110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).