4-nitropyridine-3-sulfonamide

C5H5N3O4S — CID 12684256

IUPAC4-nitropyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cnccc1[N+](=O)[O-]
InChIInChI=1S/C5H5N3O4S/c6-13(11,12)5-3-7-2-1-4(5)8(9)10/h1-3H,(H2,6,11,12)
InChIKeyWXEPMFILZGAPQD-UHFFFAOYSA-N
MW203.18 g/mol
LogP-0.36
Rot. Bonds2

About 4-nitropyridine-3-sulfonamide

4-nitropyridine-3-sulfonamide (PubChem CID 12684256) has the molecular formula C5H5N3O4S and a molecular weight of 203.18 g/mol. Its IUPAC name is 4-nitropyridine-3-sulfonamide.

Molecular Properties

Compound Name4-nitropyridine-3-sulfonamide
PubChem CID12684256
Molecular FormulaC5H5N3O4S
Molecular Weight203.18 g/mol
Exact Mass203.00
IUPAC Name4-nitropyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cnccc1[N+](=O)[O-]
InChIInChI=1S/C5H5N3O4S/c6-13(11,12)5-3-7-2-1-4(5)8(9)10/h1-3H,(H2,6,11,12)
InChIKeyWXEPMFILZGAPQD-UHFFFAOYSA-N
XLogP-0.36
TPSA116.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.18
LogP ≤ 5-0.36
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-nitropyridine-3-sulfonamide?
The IUPAC name of 4-nitropyridine-3-sulfonamide (CID 12684256) is 4-nitropyridine-3-sulfonamide.
What is the SMILES notation for 4-nitropyridine-3-sulfonamide?
The canonical SMILES for 4-nitropyridine-3-sulfonamide is NS(=O)(=O)c1cnccc1[N+](=O)[O-].
What is the InChIKey of 4-nitropyridine-3-sulfonamide?
The InChIKey is WXEPMFILZGAPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O4S/c6-13(11,12)5-3-7-2-1-4(5)8(9)10/h1-3H,(H2,6,11,12).
What are the key properties of 4-nitropyridine-3-sulfonamide?
4-nitropyridine-3-sulfonamide has a molecular weight of 203.18 g/mol, XLogP of -0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitropyridine-3-sulfonamide is sourced from PubChem (CID 12684256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).