N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide

C16H15NO5S — CID 51177885

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCCO2)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H15NO5S/c18-23(19,13-2-4-14-11(9-13)5-6-20-14)17-12-1-3-15-16(10-12)22-8-7-21-15/h1-4,9-10,17H,5-8H2
InChIKeyBQBGBQFXTOBPOS-UHFFFAOYSA-N
MW333.37 g/mol
LogP2.19
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 51177885) has the molecular formula C16H15NO5S and a molecular weight of 333.37 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID51177885
Molecular FormulaC16H15NO5S
Molecular Weight333.37 g/mol
Exact Mass333.07
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCCO2)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H15NO5S/c18-23(19,13-2-4-14-11(9-13)5-6-20-14)17-12-1-3-15-16(10-12)22-8-7-21-15/h1-4,9-10,17H,5-8H2
InChIKeyBQBGBQFXTOBPOS-UHFFFAOYSA-N
XLogP2.19
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705679
N-(3,4-dimethylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 44623892
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-benzodioxole-5-sulfonamide
CID 110776722
N-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 4827704
N-[3-(hydroxymethyl)phenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 60661387
N-(4-methylphenyl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705643
N-(4-iodophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1102354
N-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)phenyl]-N-methylacetamide
CID 86858443
N-naphthalen-2-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 846619
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethylbenzenesulfonamide
CID 7516335
N-[2-(trifluoromethyl)pyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 166375644
N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 71271610

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 51177885) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide is O=S(=O)(Nc1ccc2c(c1)OCCO2)c1ccc2c(c1)CCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is BQBGBQFXTOBPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO5S/c18-23(19,13-2-4-14-11(9-13)5-6-20-14)17-12-1-3-15-16(10-12)22-8-7-21-15/h1-4,9-10,17H,5-8H2.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 333.37 g/mol, XLogP of 2.19, 3 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)-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 51177885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).