4-[(3-nitro-2-pyridinyl)amino]benzenesulfonamide

C11H10N4O4S — CID 2842433

IUPAC4-[(3-nitro-2-pyridinyl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2ncccc2[N+](=O)[O-])cc1
InChIInChI=1S/C11H10N4O4S/c12-20(18,19)9-5-3-8(4-6-9)14-11-10(15(16)17)2-1-7-13-11/h1-7H,(H,13,14)(H2,12,18,19)
InChIKeyORZXNZPUHIVGAL-UHFFFAOYSA-N
MW294.29 g/mol
LogP1.38
Rot. Bonds4

About 4-[(3-nitro-2-pyridinyl)amino]benzenesulfonamide

4-[(3-nitro-2-pyridinyl)amino]benzenesulfonamide (PubChem CID 2842433) has the molecular formula C11H10N4O4S and a molecular weight of 294.29 g/mol. Its IUPAC name is 4-[(3-nitro-2-pyridinyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(3-nitro-2-pyridinyl)amino]benzenesulfonamide
PubChem CID2842433
Molecular FormulaC11H10N4O4S
Molecular Weight294.29 g/mol
Exact Mass294.04
IUPAC Name4-[(3-nitro-2-pyridinyl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2ncccc2[N+](=O)[O-])cc1
InChIInChI=1S/C11H10N4O4S/c12-20(18,19)9-5-3-8(4-6-9)14-11-10(15(16)17)2-1-7-13-11/h1-7H,(H,13,14)(H2,12,18,19)
InChIKeyORZXNZPUHIVGAL-UHFFFAOYSA-N
XLogP1.38
TPSA128.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[(3-nitro-2-pyridinyl)amino]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 4-[(3-nitro-2-pyridinyl)amino]benzenesulfonamide?
The IUPAC name of 4-[(3-nitro-2-pyridinyl)amino]benzenesulfonamide (CID 2842433) is 4-[(3-nitro-2-pyridinyl)amino]benzenesulfonamide.
What is the SMILES notation for 4-[(3-nitro-2-pyridinyl)amino]benzenesulfonamide?
The canonical SMILES for 4-[(3-nitro-2-pyridinyl)amino]benzenesulfonamide is NS(=O)(=O)c1ccc(Nc2ncccc2[N+](=O)[O-])cc1.
What is the InChIKey of 4-[(3-nitro-2-pyridinyl)amino]benzenesulfonamide?
The InChIKey is ORZXNZPUHIVGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O4S/c12-20(18,19)9-5-3-8(4-6-9)14-11-10(15(16)17)2-1-7-13-11/h1-7H,(H,13,14)(H2,12,18,19).
What are the key properties of 4-[(3-nitro-2-pyridinyl)amino]benzenesulfonamide?
4-[(3-nitro-2-pyridinyl)amino]benzenesulfonamide has a molecular weight of 294.29 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-nitro-2-pyridinyl)amino]benzenesulfonamide is sourced from PubChem (CID 2842433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).