N-(6-amino-1,3-benzodioxol-5-yl)-3-fluoropyridine-2-sulfonamide

C12H10FN3O4S — CID 103298570

IUPACN-(6-amino-1,3-benzodioxol-5-yl)-3-fluoropyridine-2-sulfonamide
SMILESNc1cc2c(cc1NS(=O)(=O)c1ncccc1F)OCO2
InChIInChI=1S/C12H10FN3O4S/c13-7-2-1-3-15-12(7)21(17,18)16-9-5-11-10(4-8(9)14)19-6-20-11/h1-5,16H,6,14H2
InChIKeyZHDBAQPPDFVOQH-UHFFFAOYSA-N
MW311.29 g/mol
LogP1.33
Rot. Bonds3

About N-(6-amino-1,3-benzodioxol-5-yl)-3-fluoropyridine-2-sulfonamide

N-(6-amino-1,3-benzodioxol-5-yl)-3-fluoropyridine-2-sulfonamide (PubChem CID 103298570) has the molecular formula C12H10FN3O4S and a molecular weight of 311.29 g/mol. Its IUPAC name is N-(6-amino-1,3-benzodioxol-5-yl)-3-fluoropyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(6-amino-1,3-benzodioxol-5-yl)-3-fluoropyridine-2-sulfonamide
PubChem CID103298570
Molecular FormulaC12H10FN3O4S
Molecular Weight311.29 g/mol
Exact Mass311.04
IUPAC NameN-(6-amino-1,3-benzodioxol-5-yl)-3-fluoropyridine-2-sulfonamide
SMILESNc1cc2c(cc1NS(=O)(=O)c1ncccc1F)OCO2
InChIInChI=1S/C12H10FN3O4S/c13-7-2-1-3-15-12(7)21(17,18)16-9-5-11-10(4-8(9)14)19-6-20-11/h1-5,16H,6,14H2
InChIKeyZHDBAQPPDFVOQH-UHFFFAOYSA-N
XLogP1.33
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,3-benzodioxol-5-yl)-3-fluoropyridine-2-sulfonamide?
The IUPAC name of N-(6-amino-1,3-benzodioxol-5-yl)-3-fluoropyridine-2-sulfonamide (CID 103298570) is N-(6-amino-1,3-benzodioxol-5-yl)-3-fluoropyridine-2-sulfonamide.
What is the SMILES notation for N-(6-amino-1,3-benzodioxol-5-yl)-3-fluoropyridine-2-sulfonamide?
The canonical SMILES for N-(6-amino-1,3-benzodioxol-5-yl)-3-fluoropyridine-2-sulfonamide is Nc1cc2c(cc1NS(=O)(=O)c1ncccc1F)OCO2.
What is the InChIKey of N-(6-amino-1,3-benzodioxol-5-yl)-3-fluoropyridine-2-sulfonamide?
The InChIKey is ZHDBAQPPDFVOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O4S/c13-7-2-1-3-15-12(7)21(17,18)16-9-5-11-10(4-8(9)14)19-6-20-11/h1-5,16H,6,14H2.
What are the key properties of N-(6-amino-1,3-benzodioxol-5-yl)-3-fluoropyridine-2-sulfonamide?
N-(6-amino-1,3-benzodioxol-5-yl)-3-fluoropyridine-2-sulfonamide has a molecular weight of 311.29 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,3-benzodioxol-5-yl)-3-fluoropyridine-2-sulfonamide is sourced from PubChem (CID 103298570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).