N-ethyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C16H17NO4S — CID 722337

IUPACN-ethyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H17NO4S/c1-2-17(13-6-4-3-5-7-13)22(18,19)14-8-9-15-16(12-14)21-11-10-20-15/h3-9,12H,2,10-11H2,1H3
InChIKeyILGNDZBMRABVSX-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.67
Rot. Bonds4

About N-ethyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-ethyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 722337) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is N-ethyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID722337
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC NameN-ethyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H17NO4S/c1-2-17(13-6-4-3-5-7-13)22(18,19)14-8-9-15-16(12-14)21-11-10-20-15/h3-9,12H,2,10-11H2,1H3
InChIKeyILGNDZBMRABVSX-UHFFFAOYSA-N
XLogP2.67
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-ethyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 722337) is N-ethyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-ethyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-ethyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is CCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-ethyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is ILGNDZBMRABVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4S/c1-2-17(13-6-4-3-5-7-13)22(18,19)14-8-9-15-16(12-14)21-11-10-20-15/h3-9,12H,2,10-11H2,1H3.
What are the key properties of N-ethyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-ethyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 319.38 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 722337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).