N-naphthalen-2-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C18H15NO4S — CID 846619

IUPACN-naphthalen-2-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=S(=O)(Nc1ccc2ccccc2c1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H15NO4S/c20-24(21,16-7-8-17-18(12-16)23-10-9-22-17)19-15-6-5-13-3-1-2-4-14(13)11-15/h1-8,11-12,19H,9-10H2
InChIKeyOMISXEFABJZMOB-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.41
Rot. Bonds3

About N-naphthalen-2-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-naphthalen-2-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 846619) has the molecular formula C18H15NO4S and a molecular weight of 341.39 g/mol. Its IUPAC name is N-naphthalen-2-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-naphthalen-2-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID846619
Molecular FormulaC18H15NO4S
Molecular Weight341.39 g/mol
Exact Mass341.07
IUPAC NameN-naphthalen-2-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=S(=O)(Nc1ccc2ccccc2c1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H15NO4S/c20-24(21,16-7-8-17-18(12-16)23-10-9-22-17)19-15-6-5-13-3-1-2-4-14(13)11-15/h1-8,11-12,19H,9-10H2
InChIKeyOMISXEFABJZMOB-UHFFFAOYSA-N
XLogP3.41
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-naphthalen-2-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-iodophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1102354
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-benzodioxole-5-sulfonamide
CID 110776722
N-(4-propan-2-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2273106
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1334565
N-[4-(benzylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 112981976
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51177885
N-[4-(cyclopropylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 112980041
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705679
N-(4-methoxy-3-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110776444
N-(3-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110361647
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(naphthalen-2-ylsulfonylamino)phenyl]acetamide
CID 18774828
1-N-methyl-4-N-naphthalen-2-ylbenzene-1,4-disulfonamide
CID 86922484

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-naphthalen-2-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 846619) is N-naphthalen-2-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-naphthalen-2-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-naphthalen-2-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is O=S(=O)(Nc1ccc2ccccc2c1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-naphthalen-2-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is OMISXEFABJZMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4S/c20-24(21,16-7-8-17-18(12-16)23-10-9-22-17)19-15-6-5-13-3-1-2-4-14(13)11-15/h1-8,11-12,19H,9-10H2.
What are the key properties of N-naphthalen-2-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-naphthalen-2-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 341.39 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 846619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).