N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3,4-dihydronaphthalene-2-sulfonamide

C21H23NO4S — CID 39912428

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3,4-dihydronaphthalene-2-sulfonamide
SMILESCCN(Cc1ccc2c(c1)OCCO2)S(=O)(=O)C1=Cc2ccccc2CC1
InChIInChI=1S/C21H23NO4S/c1-2-22(15-16-7-10-20-21(13-16)26-12-11-25-20)27(23,24)19-9-8-17-5-3-4-6-18(17)14-19/h3-7,10,13-14H,2,8-9,11-12,15H2,1H3
InChIKeyUEXSEHCUDMCVQY-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.60
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3,4-dihydronaphthalene-2-sulfonamide

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3,4-dihydronaphthalene-2-sulfonamide (PubChem CID 39912428) has the molecular formula C21H23NO4S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3,4-dihydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3,4-dihydronaphthalene-2-sulfonamide
PubChem CID39912428
Molecular FormulaC21H23NO4S
Molecular Weight385.49 g/mol
Exact Mass385.13
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3,4-dihydronaphthalene-2-sulfonamide
SMILESCCN(Cc1ccc2c(c1)OCCO2)S(=O)(=O)C1=Cc2ccccc2CC1
InChIInChI=1S/C21H23NO4S/c1-2-22(15-16-7-10-20-21(13-16)26-12-11-25-20)27(23,24)19-9-8-17-5-3-4-6-18(17)14-19/h3-7,10,13-14H,2,8-9,11-12,15H2,1H3
InChIKeyUEXSEHCUDMCVQY-UHFFFAOYSA-N
XLogP3.60
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3,4-dihydronaphthalene-2-sulfonamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3,4-dihydronaphthalene-2-sulfonamide (CID 39912428) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3,4-dihydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3,4-dihydronaphthalene-2-sulfonamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3,4-dihydronaphthalene-2-sulfonamide is CCN(Cc1ccc2c(c1)OCCO2)S(=O)(=O)C1=Cc2ccccc2CC1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3,4-dihydronaphthalene-2-sulfonamide?
The InChIKey is UEXSEHCUDMCVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4S/c1-2-22(15-16-7-10-20-21(13-16)26-12-11-25-20)27(23,24)19-9-8-17-5-3-4-6-18(17)14-19/h3-7,10,13-14H,2,8-9,11-12,15H2,1H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3,4-dihydronaphthalene-2-sulfonamide?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3,4-dihydronaphthalene-2-sulfonamide has a molecular weight of 385.49 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 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-ylmethyl)-N-ethyl-3,4-dihydronaphthalene-2-sulfonamide is sourced from PubChem (CID 39912428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).