N-(2-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C15H15NO5S — CID 892823

IUPACN-(2-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H15NO5S/c1-19-13-5-3-2-4-12(13)16-22(17,18)11-6-7-14-15(10-11)21-9-8-20-14/h2-7,10,16H,8-9H2,1H3
InChIKeyOQURZPLYTYNDCR-UHFFFAOYSA-N
MW321.35 g/mol
LogP2.27
Rot. Bonds4

About N-(2-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-(2-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 892823) has the molecular formula C15H15NO5S and a molecular weight of 321.35 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID892823
Molecular FormulaC15H15NO5S
Molecular Weight321.35 g/mol
Exact Mass321.07
IUPAC NameN-(2-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H15NO5S/c1-19-13-5-3-2-4-12(13)16-22(17,18)11-6-7-14-15(10-11)21-9-8-20-14/h2-7,10,16H,8-9H2,1H3
InChIKeyOQURZPLYTYNDCR-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-(2-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 892823) is N-(2-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-(2-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is COc1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is OQURZPLYTYNDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5S/c1-19-13-5-3-2-4-12(13)16-22(17,18)11-6-7-14-15(10-11)21-9-8-20-14/h2-7,10,16H,8-9H2,1H3.
What are the key properties of N-(2-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-(2-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 321.35 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 892823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).