sodium N-formylsulfamate

CH2NNaO4S — CID 174858474

IUPACsodium N-formylsulfamate
SMILESO=CNS(=O)(=O)[O-].[Na+]
InChIInChI=1S/CH3NO4S.Na/c3-1-2-7(4,5)6;/h1H,(H,2,3)(H,4,5,6);/q;+1/p-1
InChIKeyXATHHUMRVDSJKG-UHFFFAOYSA-M
MW147.09 g/mol
LogP-4.80
Rot. Bonds2

About sodium N-formylsulfamate

sodium N-formylsulfamate (PubChem CID 174858474) has the molecular formula CH2NNaO4S and a molecular weight of 147.09 g/mol. Its IUPAC name is sodium N-formylsulfamate.

Molecular Properties

Compound Namesodium N-formylsulfamate
PubChem CID174858474
Molecular FormulaCH2NNaO4S
Molecular Weight147.09 g/mol
Exact Mass146.96
IUPAC Namesodium N-formylsulfamate
SMILESO=CNS(=O)(=O)[O-].[Na+]
InChIInChI=1S/CH3NO4S.Na/c3-1-2-7(4,5)6;/h1H,(H,2,3)(H,4,5,6);/q;+1/p-1
InChIKeyXATHHUMRVDSJKG-UHFFFAOYSA-M
XLogP-4.80
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.09
LogP ≤ 5-4.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium N-formylsulfamate?
The IUPAC name of sodium N-formylsulfamate (CID 174858474) is sodium N-formylsulfamate.
What is the SMILES notation for sodium N-formylsulfamate?
The canonical SMILES for sodium N-formylsulfamate is O=CNS(=O)(=O)[O-].[Na+].
What is the InChIKey of sodium N-formylsulfamate?
The InChIKey is XATHHUMRVDSJKG-UHFFFAOYSA-M. The full InChI is InChI=1S/CH3NO4S.Na/c3-1-2-7(4,5)6;/h1H,(H,2,3)(H,4,5,6);/q;+1/p-1.
What are the key properties of sodium N-formylsulfamate?
sodium N-formylsulfamate has a molecular weight of 147.09 g/mol, XLogP of -4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N-formylsulfamate is sourced from PubChem (CID 174858474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).