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

C12H10N2O4S — CID 135074416

IUPACN-(1,3-benzodioxol-5-yl)pyridine-2-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCO2)c1ccccn1
InChIInChI=1S/C12H10N2O4S/c15-19(16,12-3-1-2-6-13-12)14-9-4-5-10-11(7-9)18-8-17-10/h1-7,14H,8H2
InChIKeyXYUPGKHLMWRSPZ-UHFFFAOYSA-N
MW278.29 g/mol
LogP1.61
Rot. Bonds3

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

N-(1,3-benzodioxol-5-yl)pyridine-2-sulfonamide (PubChem CID 135074416) has the molecular formula C12H10N2O4S and a molecular weight of 278.29 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)pyridine-2-sulfonamide
PubChem CID135074416
Molecular FormulaC12H10N2O4S
Molecular Weight278.29 g/mol
Exact Mass278.04
IUPAC NameN-(1,3-benzodioxol-5-yl)pyridine-2-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCO2)c1ccccn1
InChIInChI=1S/C12H10N2O4S/c15-19(16,12-3-1-2-6-13-12)14-9-4-5-10-11(7-9)18-8-17-10/h1-7,14H,8H2
InChIKeyXYUPGKHLMWRSPZ-UHFFFAOYSA-N
XLogP1.61
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzodioxol-5-yl)pyridine-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)pyridine-2-sulfonamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)pyridine-2-sulfonamide (CID 135074416) is N-(1,3-benzodioxol-5-yl)pyridine-2-sulfonamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)pyridine-2-sulfonamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)pyridine-2-sulfonamide is O=S(=O)(Nc1ccc2c(c1)OCO2)c1ccccn1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)pyridine-2-sulfonamide?
The InChIKey is XYUPGKHLMWRSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4S/c15-19(16,12-3-1-2-6-13-12)14-9-4-5-10-11(7-9)18-8-17-10/h1-7,14H,8H2.
What are the key properties of N-(1,3-benzodioxol-5-yl)pyridine-2-sulfonamide?
N-(1,3-benzodioxol-5-yl)pyridine-2-sulfonamide has a molecular weight of 278.29 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)pyridine-2-sulfonamide is sourced from PubChem (CID 135074416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).