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

C13H12N2O4S — CID 2315879

IUPACN-pyridin-2-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=S(=O)(Nc1ccccn1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C13H12N2O4S/c16-20(17,15-13-3-1-2-6-14-13)10-4-5-11-12(9-10)19-8-7-18-11/h1-6,9H,7-8H2,(H,14,15)
InChIKeyLRACHUIAJOLOFR-UHFFFAOYSA-N
MW292.32 g/mol
LogP1.65
Rot. Bonds3

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

N-pyridin-2-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 2315879) has the molecular formula C13H12N2O4S and a molecular weight of 292.32 g/mol. Its IUPAC name is N-pyridin-2-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-pyridin-2-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID2315879
Molecular FormulaC13H12N2O4S
Molecular Weight292.32 g/mol
Exact Mass292.05
IUPAC NameN-pyridin-2-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=S(=O)(Nc1ccccn1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C13H12N2O4S/c16-20(17,15-13-3-1-2-6-14-13)10-4-5-11-12(9-10)19-8-7-18-11/h1-6,9H,7-8H2,(H,14,15)
InChIKeyLRACHUIAJOLOFR-UHFFFAOYSA-N
XLogP1.65
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-2-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-pyridin-2-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 2315879) is N-pyridin-2-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-pyridin-2-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-pyridin-2-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is O=S(=O)(Nc1ccccn1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-pyridin-2-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is LRACHUIAJOLOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4S/c16-20(17,15-13-3-1-2-6-14-13)10-4-5-11-12(9-10)19-8-7-18-11/h1-6,9H,7-8H2,(H,14,15).
What are the key properties of N-pyridin-2-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-pyridin-2-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 292.32 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-2-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 2315879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).