N-[(1R)-1-pyridin-2-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C15H16N2O4S — CID 26943769

IUPACN-[(1R)-1-pyridin-2-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccn1
InChIInChI=1S/C15H16N2O4S/c1-11(13-4-2-3-7-16-13)17-22(18,19)12-5-6-14-15(10-12)21-9-8-20-14/h2-7,10-11,17H,8-9H2,1H3/t11-/m1/s1
InChIKeyNPIFOKKSHYLSLZ-LLVKDONJSA-N
MW320.37 g/mol
LogP1.89
Rot. Bonds4

About N-[(1R)-1-pyridin-2-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-[(1R)-1-pyridin-2-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 26943769) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is N-[(1R)-1-pyridin-2-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-pyridin-2-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID26943769
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC NameN-[(1R)-1-pyridin-2-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccn1
InChIInChI=1S/C15H16N2O4S/c1-11(13-4-2-3-7-16-13)17-22(18,19)12-5-6-14-15(10-12)21-9-8-20-14/h2-7,10-11,17H,8-9H2,1H3/t11-/m1/s1
InChIKeyNPIFOKKSHYLSLZ-LLVKDONJSA-N
XLogP1.89
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1R)-1-pyridin-2-ylethyl]-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-[(1S)-1-phenylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 846846
N-[(1S)-1-pyridin-2-ylethyl]naphthalene-2-sulfonamide
CID 2459314
N-[(1S)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 42509464
4-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 40664770
N-(1-pyridin-2-yl-2-thiophen-3-ylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110222207
3-fluoro-4-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 46452389
N-(1-naphthalen-1-ylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 46799948
3-fluoro-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 18086450
3,5-difluoro-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 41084343
3-nitro-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 110724474
N-(4-hydroxybutan-2-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 115477966
4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]benzamide
CID 92520286

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-pyridin-2-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-[(1R)-1-pyridin-2-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 26943769) is N-[(1R)-1-pyridin-2-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-[(1R)-1-pyridin-2-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-[(1R)-1-pyridin-2-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is C[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccn1.
What is the InChIKey of N-[(1R)-1-pyridin-2-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is NPIFOKKSHYLSLZ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-11(13-4-2-3-7-16-13)17-22(18,19)12-5-6-14-15(10-12)21-9-8-20-14/h2-7,10-11,17H,8-9H2,1H3/t11-/m1/s1.
What are the key properties of N-[(1R)-1-pyridin-2-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-[(1R)-1-pyridin-2-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 320.37 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-pyridin-2-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 26943769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).