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

C15H15NO5S — CID 852232

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C15H15NO5S/c1-19-12-3-2-4-13(10-12)22(17,18)16-11-5-6-14-15(9-11)21-8-7-20-14/h2-6,9-10,16H,7-8H2,1H3
InChIKeyYECHCKCKBORGQC-UHFFFAOYSA-N
MW321.35 g/mol
LogP2.27
Rot. Bonds4

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxybenzenesulfonamide (PubChem CID 852232) has the molecular formula C15H15NO5S and a molecular weight of 321.35 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxybenzenesulfonamide
PubChem CID852232
Molecular FormulaC15H15NO5S
Molecular Weight321.35 g/mol
Exact Mass321.07
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C15H15NO5S/c1-19-12-3-2-4-13(10-12)22(17,18)16-11-5-6-14-15(9-11)21-8-7-20-14/h2-6,9-10,16H,7-8H2,1H3
InChIKeyYECHCKCKBORGQC-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-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxybenzenesulfonamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxybenzenesulfonamide (CID 852232) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxybenzenesulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxybenzenesulfonamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxybenzenesulfonamide is COc1cccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxybenzenesulfonamide?
The InChIKey is YECHCKCKBORGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5S/c1-19-12-3-2-4-13(10-12)22(17,18)16-11-5-6-14-15(9-11)21-8-7-20-14/h2-6,9-10,16H,7-8H2,1H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxybenzenesulfonamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxybenzenesulfonamide 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-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxybenzenesulfonamide is sourced from PubChem (CID 852232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).