3-nitro-N-pyridin-2-ylbenzenesulfonamide

C11H9N3O4S — CID 3091373

IUPAC3-nitro-N-pyridin-2-ylbenzenesulfonamide
SMILESO=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccccn2)c1
InChIInChI=1S/C11H9N3O4S/c15-14(16)9-4-3-5-10(8-9)19(17,18)13-11-6-1-2-7-12-11/h1-8H,(H,12,13)
InChIKeyAQGKUVNMQYSMHP-UHFFFAOYSA-N
MW279.28 g/mol
LogP1.79
Rot. Bonds4

About 3-nitro-N-pyridin-2-ylbenzenesulfonamide

3-nitro-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 3091373) has the molecular formula C11H9N3O4S and a molecular weight of 279.28 g/mol. Its IUPAC name is 3-nitro-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-nitro-N-pyridin-2-ylbenzenesulfonamide
PubChem CID3091373
Molecular FormulaC11H9N3O4S
Molecular Weight279.28 g/mol
Exact Mass279.03
IUPAC Name3-nitro-N-pyridin-2-ylbenzenesulfonamide
SMILESO=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccccn2)c1
InChIInChI=1S/C11H9N3O4S/c15-14(16)9-4-3-5-10(8-9)19(17,18)13-11-6-1-2-7-12-11/h1-8H,(H,12,13)
InChIKeyAQGKUVNMQYSMHP-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 3-nitro-N-pyridin-2-ylbenzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

Sulfapyridine
CID 5336
Acetylsulfapyridine
CID 58638
Sulfapyridine Sodium
CID 23667654
4-nitro-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 714395
N-(4-Methyl-2-pyridyl)benzenesulfonamide
CID 739341
2-nitro-N-(pyridin-3-yl)benzenesulfonamide
CID 2164527
3-Nitro-N-pyridin-2-ylmethyl-benzenesulfonamide
CID 2887049
3-nitro-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 3136220
4-nitro-N-(pyridin-2-yl)benzenesulfonamide
CID 611709
N-(6-methylpyridin-2-yl)-4-nitrobenzenesulfonamide
CID 776892
N-(6-methylpyridin-2-yl)-3-nitrobenzenesulfonamide
CID 3105428
4-Nitrobenzenesulfonic acid 2-(3-nitro-2-pyridinyl)hydrazide
CID 5052243

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of 3-nitro-N-pyridin-2-ylbenzenesulfonamide (CID 3091373) is 3-nitro-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for 3-nitro-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for 3-nitro-N-pyridin-2-ylbenzenesulfonamide is O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccccn2)c1.
What is the InChIKey of 3-nitro-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is AQGKUVNMQYSMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O4S/c15-14(16)9-4-3-5-10(8-9)19(17,18)13-11-6-1-2-7-12-11/h1-8H,(H,12,13).
What are the key properties of 3-nitro-N-pyridin-2-ylbenzenesulfonamide?
3-nitro-N-pyridin-2-ylbenzenesulfonamide 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 3-nitro-N-pyridin-2-ylbenzenesulfonamide is sourced from PubChem (CID 3091373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).