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

C20H19NO4S — CID 46799948

IUPACN-(1-naphthalen-1-ylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc2c(c1)OCCO2)c1cccc2ccccc12
InChIInChI=1S/C20H19NO4S/c1-14(17-8-4-6-15-5-2-3-7-18(15)17)21-26(22,23)16-9-10-19-20(13-16)25-12-11-24-19/h2-10,13-14,21H,11-12H2,1H3
InChIKeyLIKHPGXQEPKRJP-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.65
Rot. Bonds4

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

N-(1-naphthalen-1-ylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 46799948) has the molecular formula C20H19NO4S and a molecular weight of 369.44 g/mol. Its IUPAC name is N-(1-naphthalen-1-ylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-(1-naphthalen-1-ylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID46799948
Molecular FormulaC20H19NO4S
Molecular Weight369.44 g/mol
Exact Mass369.10
IUPAC NameN-(1-naphthalen-1-ylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc2c(c1)OCCO2)c1cccc2ccccc12
InChIInChI=1S/C20H19NO4S/c1-14(17-8-4-6-15-5-2-3-7-18(15)17)21-26(22,23)16-9-10-19-20(13-16)25-12-11-24-19/h2-10,13-14,21H,11-12H2,1H3
InChIKeyLIKHPGXQEPKRJP-UHFFFAOYSA-N
XLogP3.65
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-phenylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 846846
N-[(1R)-1-pyridin-2-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 26943769
N-[(2S)-2-morpholin-4-yl-2-naphthalen-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 30836060
N-[(2-propan-2-ylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110671509
(3R)-3-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9188900
N-(4-hydroxybutan-2-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 115477966
N-[(1R)-1-(3-chlorophenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 9462686
N-[(1S)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 42509464
1-[(1S)-1-(dimethylsulfamoylamino)ethyl]naphthalene
CID 35308399
1-[1-(dimethylsulfamoylamino)ethyl]naphthalene
CID 42955136
N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 103836253
N-[(2S)-6-methylheptan-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 29431829

Frequently Asked Questions

What is the IUPAC name of N-(1-naphthalen-1-ylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-(1-naphthalen-1-ylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 46799948) is N-(1-naphthalen-1-ylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-(1-naphthalen-1-ylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-(1-naphthalen-1-ylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is CC(NS(=O)(=O)c1ccc2c(c1)OCCO2)c1cccc2ccccc12.
What is the InChIKey of N-(1-naphthalen-1-ylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is LIKHPGXQEPKRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4S/c1-14(17-8-4-6-15-5-2-3-7-18(15)17)21-26(22,23)16-9-10-19-20(13-16)25-12-11-24-19/h2-10,13-14,21H,11-12H2,1H3.
What are the key properties of N-(1-naphthalen-1-ylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-(1-naphthalen-1-ylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 369.44 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-naphthalen-1-ylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 46799948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).