4-amino-2-nitro-N-pyridin-4-ylbenzenesulfonamide

C11H10N4O4S — CID 62144738

IUPAC4-amino-2-nitro-N-pyridin-4-ylbenzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ccncc2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H10N4O4S/c12-8-1-2-11(10(7-8)15(16)17)20(18,19)14-9-3-5-13-6-4-9/h1-7H,12H2,(H,13,14)
InChIKeyPNFXPLLHFBUFKL-UHFFFAOYSA-N
MW294.29 g/mol
LogP1.37
Rot. Bonds4

About 4-amino-2-nitro-N-pyridin-4-ylbenzenesulfonamide

4-amino-2-nitro-N-pyridin-4-ylbenzenesulfonamide (PubChem CID 62144738) has the molecular formula C11H10N4O4S and a molecular weight of 294.29 g/mol. Its IUPAC name is 4-amino-2-nitro-N-pyridin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-nitro-N-pyridin-4-ylbenzenesulfonamide
PubChem CID62144738
Molecular FormulaC11H10N4O4S
Molecular Weight294.29 g/mol
Exact Mass294.04
IUPAC Name4-amino-2-nitro-N-pyridin-4-ylbenzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ccncc2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H10N4O4S/c12-8-1-2-11(10(7-8)15(16)17)20(18,19)14-9-3-5-13-6-4-9/h1-7H,12H2,(H,13,14)
InChIKeyPNFXPLLHFBUFKL-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-nitro-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 62913798
5-hydrazinyl-2-nitro-N-pyridin-4-ylbenzenesulfonamide
CID 60989473
4-amino-2-nitro-N-pyridazin-3-ylbenzenesulfonamide
CID 116787794
4-amino-N-(5-chloro-2-pyridinyl)-2-nitrobenzenesulfonamide
CID 62144754
5-amino-N-(3-fluoro-4-pyridinyl)-2-nitrobenzenesulfonamide
CID 107595401
4-amino-N-(3-methylbutan-2-yl)-2-nitrobenzenesulfonamide
CID 62145119
4-amino-2-nitro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 62148379
2-[(4-amino-2-nitrophenyl)sulfonylamino]-2-methylpropanamide
CID 62153300
5-amino-2,3-dimethyl-N-pyridin-4-ylbenzenesulfonamide
CID 29040045
4-amino-2-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 62143223
5-amino-2-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 62902722
4-amino-N-(2,2-dimethylcyclopropyl)-2-nitrobenzenesulfonamide
CID 62156942

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-nitro-N-pyridin-4-ylbenzenesulfonamide?
The IUPAC name of 4-amino-2-nitro-N-pyridin-4-ylbenzenesulfonamide (CID 62144738) is 4-amino-2-nitro-N-pyridin-4-ylbenzenesulfonamide.
What is the SMILES notation for 4-amino-2-nitro-N-pyridin-4-ylbenzenesulfonamide?
The canonical SMILES for 4-amino-2-nitro-N-pyridin-4-ylbenzenesulfonamide is Nc1ccc(S(=O)(=O)Nc2ccncc2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-amino-2-nitro-N-pyridin-4-ylbenzenesulfonamide?
The InChIKey is PNFXPLLHFBUFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O4S/c12-8-1-2-11(10(7-8)15(16)17)20(18,19)14-9-3-5-13-6-4-9/h1-7H,12H2,(H,13,14).
What are the key properties of 4-amino-2-nitro-N-pyridin-4-ylbenzenesulfonamide?
4-amino-2-nitro-N-pyridin-4-ylbenzenesulfonamide has a molecular weight of 294.29 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-nitro-N-pyridin-4-ylbenzenesulfonamide is sourced from PubChem (CID 62144738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).