phenyl(phenylsulfamoyl)sulfamic acid

C12H12N2O5S2 — CID 70599428

IUPACphenyl(phenylsulfamoyl)sulfamic acid
SMILESO=S(=O)(O)N(c1ccccc1)S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C12H12N2O5S2/c15-20(16,13-11-7-3-1-4-8-11)14(21(17,18)19)12-9-5-2-6-10-12/h1-10,13H,(H,17,18,19)
InChIKeyFEOPIPVTASSRAE-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.65
Rot. Bonds5

About phenyl(phenylsulfamoyl)sulfamic acid

phenyl(phenylsulfamoyl)sulfamic acid (PubChem CID 70599428) has the molecular formula C12H12N2O5S2 and a molecular weight of 328.37 g/mol. Its IUPAC name is phenyl(phenylsulfamoyl)sulfamic acid.

Molecular Properties

Compound Namephenyl(phenylsulfamoyl)sulfamic acid
PubChem CID70599428
Molecular FormulaC12H12N2O5S2
Molecular Weight328.37 g/mol
Exact Mass328.02
IUPAC Namephenyl(phenylsulfamoyl)sulfamic acid
SMILESO=S(=O)(O)N(c1ccccc1)S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C12H12N2O5S2/c15-20(16,13-11-7-3-1-4-8-11)14(21(17,18)19)12-9-5-2-6-10-12/h1-10,13H,(H,17,18,19)
InChIKeyFEOPIPVTASSRAE-UHFFFAOYSA-N
XLogP1.65
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phenyl(phenylsulfamoyl)sulfamic acid?
The IUPAC name of phenyl(phenylsulfamoyl)sulfamic acid (CID 70599428) is phenyl(phenylsulfamoyl)sulfamic acid.
What is the SMILES notation for phenyl(phenylsulfamoyl)sulfamic acid?
The canonical SMILES for phenyl(phenylsulfamoyl)sulfamic acid is O=S(=O)(O)N(c1ccccc1)S(=O)(=O)Nc1ccccc1.
What is the InChIKey of phenyl(phenylsulfamoyl)sulfamic acid?
The InChIKey is FEOPIPVTASSRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O5S2/c15-20(16,13-11-7-3-1-4-8-11)14(21(17,18)19)12-9-5-2-6-10-12/h1-10,13H,(H,17,18,19).
What are the key properties of phenyl(phenylsulfamoyl)sulfamic acid?
phenyl(phenylsulfamoyl)sulfamic acid has a molecular weight of 328.37 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(phenylsulfamoyl)sulfamic acid is sourced from PubChem (CID 70599428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).