phenyl 3-sulfamoylpyridine-4-sulfonate

C11H10N2O5S2 — CID 175256683

IUPACphenyl 3-sulfamoylpyridine-4-sulfonate
SMILESNS(=O)(=O)c1cnccc1S(=O)(=O)Oc1ccccc1
InChIInChI=1S/C11H10N2O5S2/c12-19(14,15)11-8-13-7-6-10(11)20(16,17)18-9-4-2-1-3-5-9/h1-8H,(H2,12,14,15)
InChIKeyNVHACWOZWYJERR-UHFFFAOYSA-N
MW314.34 g/mol
LogP0.50
Rot. Bonds4

About phenyl 3-sulfamoylpyridine-4-sulfonate

phenyl 3-sulfamoylpyridine-4-sulfonate (PubChem CID 175256683) has the molecular formula C11H10N2O5S2 and a molecular weight of 314.34 g/mol. Its IUPAC name is phenyl 3-sulfamoylpyridine-4-sulfonate.

Molecular Properties

Compound Namephenyl 3-sulfamoylpyridine-4-sulfonate
PubChem CID175256683
Molecular FormulaC11H10N2O5S2
Molecular Weight314.34 g/mol
Exact Mass314.00
IUPAC Namephenyl 3-sulfamoylpyridine-4-sulfonate
SMILESNS(=O)(=O)c1cnccc1S(=O)(=O)Oc1ccccc1
InChIInChI=1S/C11H10N2O5S2/c12-19(14,15)11-8-13-7-6-10(11)20(16,17)18-9-4-2-1-3-5-9/h1-8H,(H2,12,14,15)
InChIKeyNVHACWOZWYJERR-UHFFFAOYSA-N
XLogP0.50
TPSA116.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phenyl 3-sulfamoylpyridine-4-sulfonate?
The IUPAC name of phenyl 3-sulfamoylpyridine-4-sulfonate (CID 175256683) is phenyl 3-sulfamoylpyridine-4-sulfonate.
What is the SMILES notation for phenyl 3-sulfamoylpyridine-4-sulfonate?
The canonical SMILES for phenyl 3-sulfamoylpyridine-4-sulfonate is NS(=O)(=O)c1cnccc1S(=O)(=O)Oc1ccccc1.
What is the InChIKey of phenyl 3-sulfamoylpyridine-4-sulfonate?
The InChIKey is NVHACWOZWYJERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O5S2/c12-19(14,15)11-8-13-7-6-10(11)20(16,17)18-9-4-2-1-3-5-9/h1-8H,(H2,12,14,15).
What are the key properties of phenyl 3-sulfamoylpyridine-4-sulfonate?
phenyl 3-sulfamoylpyridine-4-sulfonate has a molecular weight of 314.34 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 3-sulfamoylpyridine-4-sulfonate is sourced from PubChem (CID 175256683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).