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

C16H17NO4S — CID 3699118

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1C
InChIInChI=1S/C16H17NO4S/c1-11-3-5-14(9-12(11)2)22(18,19)17-13-4-6-15-16(10-13)21-8-7-20-15/h3-6,9-10,17H,7-8H2,1-2H3
InChIKeyBNPSWJIAQTZBPL-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.88
Rot. Bonds3

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dimethylbenzenesulfonamide (PubChem CID 3699118) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dimethylbenzenesulfonamide
PubChem CID3699118
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1C
InChIInChI=1S/C16H17NO4S/c1-11-3-5-14(9-12(11)2)22(18,19)17-13-4-6-15-16(10-13)21-8-7-20-15/h3-6,9-10,17H,7-8H2,1-2H3
InChIKeyBNPSWJIAQTZBPL-UHFFFAOYSA-N
XLogP2.88
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dimethylbenzenesulfonamide 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)-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dimethylbenzenesulfonamide (CID 3699118) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1C.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dimethylbenzenesulfonamide?
The InChIKey is BNPSWJIAQTZBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4S/c1-11-3-5-14(9-12(11)2)22(18,19)17-13-4-6-15-16(10-13)21-8-7-20-15/h3-6,9-10,17H,7-8H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dimethylbenzenesulfonamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dimethylbenzenesulfonamide has a molecular weight of 319.38 g/mol, XLogP of 2.88, 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)-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 3699118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).