CID 45157476

C7H7NNaO4S — CID 45157476

IUPAC—
SMILESO.O=C1NS(=O)(=O)c2ccccc21.[Na]
InChIInChI=1S/C7H5NO3S.Na.H2O/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;;/h1-4H,(H,8,9);;1H2
InChIKeyADGODYTXWSFUEZ-UHFFFAOYSA-N
MW224.19 g/mol
LogP-1.09
Rot. Bonds

About CID 45157476

CID 45157476 (PubChem CID 45157476) has the molecular formula C7H7NNaO4S and a molecular weight of 224.19 g/mol.

Molecular Properties

Compound NameCID 45157476
PubChem CID45157476
Molecular FormulaC7H7NNaO4S
Molecular Weight224.19 g/mol
Exact Mass224.00
IUPAC Name—
SMILESO.O=C1NS(=O)(=O)c2ccccc21.[Na]
InChIInChI=1S/C7H5NO3S.Na.H2O/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;;/h1-4H,(H,8,9);;1H2
InChIKeyADGODYTXWSFUEZ-UHFFFAOYSA-N
XLogP-1.09
TPSA94.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 45157476?
The IUPAC name of CID 45157476 (CID 45157476) is not available.
What is the SMILES notation for CID 45157476?
The canonical SMILES for CID 45157476 is O.O=C1NS(=O)(=O)c2ccccc21.[Na].
What is the InChIKey of CID 45157476?
The InChIKey is ADGODYTXWSFUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO3S.Na.H2O/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;;/h1-4H,(H,8,9);;1H2.
What are the key properties of CID 45157476?
CID 45157476 has a molecular weight of 224.19 g/mol, XLogP of -1.09, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 45157476 is sourced from PubChem (CID 45157476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).