2-chloro-N-(6-chloro-1,3-benzodioxol-5-yl)pyridine-3-sulfonamide

C12H8Cl2N2O4S — CID 60712774

IUPAC2-chloro-N-(6-chloro-1,3-benzodioxol-5-yl)pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1cc2c(cc1Cl)OCO2)c1cccnc1Cl
InChIInChI=1S/C12H8Cl2N2O4S/c13-7-4-9-10(20-6-19-9)5-8(7)16-21(17,18)11-2-1-3-15-12(11)14/h1-5,16H,6H2
InChIKeyLCGJJNKKHDVPJO-UHFFFAOYSA-N
MW347.18 g/mol
LogP2.92
Rot. Bonds3

About 2-chloro-N-(6-chloro-1,3-benzodioxol-5-yl)pyridine-3-sulfonamide

2-chloro-N-(6-chloro-1,3-benzodioxol-5-yl)pyridine-3-sulfonamide (PubChem CID 60712774) has the molecular formula C12H8Cl2N2O4S and a molecular weight of 347.18 g/mol. Its IUPAC name is 2-chloro-N-(6-chloro-1,3-benzodioxol-5-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(6-chloro-1,3-benzodioxol-5-yl)pyridine-3-sulfonamide
PubChem CID60712774
Molecular FormulaC12H8Cl2N2O4S
Molecular Weight347.18 g/mol
Exact Mass345.96
IUPAC Name2-chloro-N-(6-chloro-1,3-benzodioxol-5-yl)pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1cc2c(cc1Cl)OCO2)c1cccnc1Cl
InChIInChI=1S/C12H8Cl2N2O4S/c13-7-4-9-10(20-6-19-9)5-8(7)16-21(17,18)11-2-1-3-15-12(11)14/h1-5,16H,6H2
InChIKeyLCGJJNKKHDVPJO-UHFFFAOYSA-N
XLogP2.92
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.18
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(6-chloro-1,3-benzodioxol-5-yl)pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-(6-chloro-1,3-benzodioxol-5-yl)pyridine-3-sulfonamide (CID 60712774) is 2-chloro-N-(6-chloro-1,3-benzodioxol-5-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-(6-chloro-1,3-benzodioxol-5-yl)pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-(6-chloro-1,3-benzodioxol-5-yl)pyridine-3-sulfonamide is O=S(=O)(Nc1cc2c(cc1Cl)OCO2)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(6-chloro-1,3-benzodioxol-5-yl)pyridine-3-sulfonamide?
The InChIKey is LCGJJNKKHDVPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O4S/c13-7-4-9-10(20-6-19-9)5-8(7)16-21(17,18)11-2-1-3-15-12(11)14/h1-5,16H,6H2.
What are the key properties of 2-chloro-N-(6-chloro-1,3-benzodioxol-5-yl)pyridine-3-sulfonamide?
2-chloro-N-(6-chloro-1,3-benzodioxol-5-yl)pyridine-3-sulfonamide has a molecular weight of 347.18 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(6-chloro-1,3-benzodioxol-5-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 60712774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).