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

C13H12N2O4S — CID 722533

IUPACN-pyridin-3-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=S(=O)(Nc1cccnc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C13H12N2O4S/c16-20(17,15-10-2-1-5-14-9-10)11-3-4-12-13(8-11)19-7-6-18-12/h1-5,8-9,15H,6-7H2
InChIKeyGRFWQYYCJZWWQT-UHFFFAOYSA-N
MW292.32 g/mol
LogP1.65
Rot. Bonds3

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

N-pyridin-3-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 722533) has the molecular formula C13H12N2O4S and a molecular weight of 292.32 g/mol. Its IUPAC name is N-pyridin-3-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-pyridin-3-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID722533
Molecular FormulaC13H12N2O4S
Molecular Weight292.32 g/mol
Exact Mass292.05
IUPAC NameN-pyridin-3-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=S(=O)(Nc1cccnc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C13H12N2O4S/c16-20(17,15-10-2-1-5-14-9-10)11-3-4-12-13(8-11)19-7-6-18-12/h1-5,8-9,15H,6-7H2
InChIKeyGRFWQYYCJZWWQT-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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Related Compounds

3,4-Dimethoxy-N-pyridin-3-ylmethyl-benzenesulfonamide
CID 1141964
3,4-Dimethoxy-N-pyridin-3-yl-benzenesulfonamide
CID 778317
4-ethoxy-N-pyridin-3-ylbenzenesulfonamide
CID 729504
N-isoquinolin-5-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 121325256
4-ethoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 2424901
3,4-dimethoxy-N'-[(1Z)-1-(pyridin-4-yl)ethylidene]benzenesulfonohydrazide
CID 25237445
N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 817443
2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]-N-(pyridin-3-ylmethyl)acetamide
CID 989151
2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]-N-(pyridin-4-ylmethyl)acetamide
CID 1306472
N-pyridin-2-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2315879
3,4-dimethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 870239
2,5-dimethoxy-N-pyridin-3-ylbenzenesulfonamide
CID 893397

Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-pyridin-3-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 722533) is N-pyridin-3-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-pyridin-3-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-pyridin-3-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is O=S(=O)(Nc1cccnc1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-pyridin-3-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is GRFWQYYCJZWWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4S/c16-20(17,15-10-2-1-5-14-9-10)11-3-4-12-13(8-11)19-7-6-18-12/h1-5,8-9,15H,6-7H2.
What are the key properties of N-pyridin-3-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-pyridin-3-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-3-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 722533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).