7-methyl-N-(2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C16H17NO4S — CID 110758925

IUPAC7-methyl-N-(2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1cc2c(cc1C)OCCO2
InChIInChI=1S/C16H17NO4S/c1-11-5-3-4-6-13(11)17-22(18,19)16-10-15-14(9-12(16)2)20-7-8-21-15/h3-6,9-10,17H,7-8H2,1-2H3
InChIKeyDYLIZTDGGACZSE-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.88
Rot. Bonds3

About 7-methyl-N-(2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

7-methyl-N-(2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 110758925) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is 7-methyl-N-(2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound Name7-methyl-N-(2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID110758925
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC Name7-methyl-N-(2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1cc2c(cc1C)OCCO2
InChIInChI=1S/C16H17NO4S/c1-11-5-3-4-6-13(11)17-22(18,19)16-10-15-14(9-12(16)2)20-7-8-21-15/h3-6,9-10,17H,7-8H2,1-2H3
InChIKeyDYLIZTDGGACZSE-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

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Related Compounds

N-(2-ethylphenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110758931
N-(3-fluorophenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110758953
N-(1,3-benzodioxol-5-yl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110758954
N-tert-butyl-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110758916
N-(4-methoxyphenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110758941
1,3,6-trimethyl-N-(2-methylphenyl)-2-oxobenzimidazole-5-sulfonamide
CID 53092106
7-methyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110758903
5-amino-2,3-dimethyl-N-(2-methylphenyl)benzenesulfonamide
CID 29288655
4-cyano-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-methylbenzenesulfonamide
CID 167937246
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)benzenesulfonamide
CID 17477626
4-fluoro-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide
CID 110778052
N-[3-(2-methylanilino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2398558

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of 7-methyl-N-(2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 110758925) is 7-methyl-N-(2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for 7-methyl-N-(2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for 7-methyl-N-(2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is Cc1ccccc1NS(=O)(=O)c1cc2c(cc1C)OCCO2.
What is the InChIKey of 7-methyl-N-(2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is DYLIZTDGGACZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4S/c1-11-5-3-4-6-13(11)17-22(18,19)16-10-15-14(9-12(16)2)20-7-8-21-15/h3-6,9-10,17H,7-8H2,1-2H3.
What are the key properties of 7-methyl-N-(2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
7-methyl-N-(2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide 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 7-methyl-N-(2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 110758925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).