2-amino-N-(1,3-benzodioxol-5-yl)pyridine-3-sulfonamide

C12H11N3O4S — CID 62163676

IUPAC2-amino-N-(1,3-benzodioxol-5-yl)pyridine-3-sulfonamide
SMILESNc1ncccc1S(=O)(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C12H11N3O4S/c13-12-11(2-1-5-14-12)20(16,17)15-8-3-4-9-10(6-8)19-7-18-9/h1-6,15H,7H2,(H2,13,14)
InChIKeyOOLDMUGLJLPNTE-UHFFFAOYSA-N
MW293.30 g/mol
LogP1.19
Rot. Bonds3

About 2-amino-N-(1,3-benzodioxol-5-yl)pyridine-3-sulfonamide

2-amino-N-(1,3-benzodioxol-5-yl)pyridine-3-sulfonamide (PubChem CID 62163676) has the molecular formula C12H11N3O4S and a molecular weight of 293.30 g/mol. Its IUPAC name is 2-amino-N-(1,3-benzodioxol-5-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-N-(1,3-benzodioxol-5-yl)pyridine-3-sulfonamide
PubChem CID62163676
Molecular FormulaC12H11N3O4S
Molecular Weight293.30 g/mol
Exact Mass293.05
IUPAC Name2-amino-N-(1,3-benzodioxol-5-yl)pyridine-3-sulfonamide
SMILESNc1ncccc1S(=O)(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C12H11N3O4S/c13-12-11(2-1-5-14-12)20(16,17)15-8-3-4-9-10(6-8)19-7-18-9/h1-6,15H,7H2,(H2,13,14)
InChIKeyOOLDMUGLJLPNTE-UHFFFAOYSA-N
XLogP1.19
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,3-benzodioxol-5-yl)pyridine-3-sulfonamide?
The IUPAC name of 2-amino-N-(1,3-benzodioxol-5-yl)pyridine-3-sulfonamide (CID 62163676) is 2-amino-N-(1,3-benzodioxol-5-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-N-(1,3-benzodioxol-5-yl)pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-N-(1,3-benzodioxol-5-yl)pyridine-3-sulfonamide is Nc1ncccc1S(=O)(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of 2-amino-N-(1,3-benzodioxol-5-yl)pyridine-3-sulfonamide?
The InChIKey is OOLDMUGLJLPNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4S/c13-12-11(2-1-5-14-12)20(16,17)15-8-3-4-9-10(6-8)19-7-18-9/h1-6,15H,7H2,(H2,13,14).
What are the key properties of 2-amino-N-(1,3-benzodioxol-5-yl)pyridine-3-sulfonamide?
2-amino-N-(1,3-benzodioxol-5-yl)pyridine-3-sulfonamide has a molecular weight of 293.30 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,3-benzodioxol-5-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 62163676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).