CID 162329713

C4H5NNaO3S — CID 162329713

IUPAC—
SMILESO=C1C=CCS(=O)(=O)N1.[Na]
InChIInChI=1S/C4H5NO3S.Na/c6-4-2-1-3-9(7,8)5-4;/h1-2H,3H2,(H,5,6);
InChIKeyQHRZWVBJHJHVLC-UHFFFAOYSA-N
MW170.14 g/mol
LogP-1.38
Rot. Bonds

About CID 162329713

CID 162329713 (PubChem CID 162329713) has the molecular formula C4H5NNaO3S and a molecular weight of 170.14 g/mol.

Molecular Properties

Compound NameCID 162329713
PubChem CID162329713
Molecular FormulaC4H5NNaO3S
Molecular Weight170.14 g/mol
Exact Mass169.99
IUPAC Name—
SMILESO=C1C=CCS(=O)(=O)N1.[Na]
InChIInChI=1S/C4H5NO3S.Na/c6-4-2-1-3-9(7,8)5-4;/h1-2H,3H2,(H,5,6);
InChIKeyQHRZWVBJHJHVLC-UHFFFAOYSA-N
XLogP-1.38
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.14
LogP ≤ 5-1.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 162329713?
The IUPAC name of CID 162329713 (CID 162329713) is not available.
What is the SMILES notation for CID 162329713?
The canonical SMILES for CID 162329713 is O=C1C=CCS(=O)(=O)N1.[Na].
What is the InChIKey of CID 162329713?
The InChIKey is QHRZWVBJHJHVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO3S.Na/c6-4-2-1-3-9(7,8)5-4;/h1-2H,3H2,(H,5,6);.
What are the key properties of CID 162329713?
CID 162329713 has a molecular weight of 170.14 g/mol, XLogP of -1.38, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162329713 is sourced from PubChem (CID 162329713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).