N-(5-nitro-2-pyridinyl)benzenesulfonamide

C11H9N3O4S — CID 158570402

IUPACN-(5-nitro-2-pyridinyl)benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(NS(=O)(=O)c2ccccc2)nc1
InChIInChI=1S/C11H9N3O4S/c15-14(16)9-6-7-11(12-8-9)13-19(17,18)10-4-2-1-3-5-10/h1-8H,(H,12,13)
InChIKeyHRZVLNIEAHQMOS-UHFFFAOYSA-N
MW279.28 g/mol
LogP1.79
Rot. Bonds4

About N-(5-nitro-2-pyridinyl)benzenesulfonamide

N-(5-nitro-2-pyridinyl)benzenesulfonamide (PubChem CID 158570402) has the molecular formula C11H9N3O4S and a molecular weight of 279.28 g/mol. Its IUPAC name is N-(5-nitro-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-nitro-2-pyridinyl)benzenesulfonamide
PubChem CID158570402
Molecular FormulaC11H9N3O4S
Molecular Weight279.28 g/mol
Exact Mass279.03
IUPAC NameN-(5-nitro-2-pyridinyl)benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(NS(=O)(=O)c2ccccc2)nc1
InChIInChI=1S/C11H9N3O4S/c15-14(16)9-6-7-11(12-8-9)13-19(17,18)10-4-2-1-3-5-10/h1-8H,(H,12,13)
InChIKeyHRZVLNIEAHQMOS-UHFFFAOYSA-N
XLogP1.79
TPSA102.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(5-nitro-2-pyridinyl)benzenesulfonamide 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-(5-nitro-2-pyridinyl)benzenesulfonamide?
The IUPAC name of N-(5-nitro-2-pyridinyl)benzenesulfonamide (CID 158570402) is N-(5-nitro-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for N-(5-nitro-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for N-(5-nitro-2-pyridinyl)benzenesulfonamide is O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccccc2)nc1.
What is the InChIKey of N-(5-nitro-2-pyridinyl)benzenesulfonamide?
The InChIKey is HRZVLNIEAHQMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O4S/c15-14(16)9-6-7-11(12-8-9)13-19(17,18)10-4-2-1-3-5-10/h1-8H,(H,12,13).
What are the key properties of N-(5-nitro-2-pyridinyl)benzenesulfonamide?
N-(5-nitro-2-pyridinyl)benzenesulfonamide has a molecular weight of 279.28 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-nitro-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 158570402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).