(chlorosulfonyloxyamino)-oxomethane

CH2ClNO4S — CID 174881527

IUPAC(chlorosulfonyloxyamino)-oxomethane
SMILESO=CNOS(=O)(=O)Cl
InChIInChI=1S/CH2ClNO4S/c2-8(5,6)7-3-1-4/h1H,(H,3,4)
InChIKeyJFCFSNLOWTZQJN-UHFFFAOYSA-N
MW159.55 g/mol
LogP-0.85
Rot. Bonds3

About (chlorosulfonyloxyamino)-oxomethane

(chlorosulfonyloxyamino)-oxomethane (PubChem CID 174881527) has the molecular formula CH2ClNO4S and a molecular weight of 159.55 g/mol. Its IUPAC name is (chlorosulfonyloxyamino)-oxomethane.

Molecular Properties

Compound Name(chlorosulfonyloxyamino)-oxomethane
PubChem CID174881527
Molecular FormulaCH2ClNO4S
Molecular Weight159.55 g/mol
Exact Mass158.94
IUPAC Name(chlorosulfonyloxyamino)-oxomethane
SMILESO=CNOS(=O)(=O)Cl
InChIInChI=1S/CH2ClNO4S/c2-8(5,6)7-3-1-4/h1H,(H,3,4)
InChIKeyJFCFSNLOWTZQJN-UHFFFAOYSA-N
XLogP-0.85
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.55
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (chlorosulfonyloxyamino)-oxomethane?
The IUPAC name of (chlorosulfonyloxyamino)-oxomethane (CID 174881527) is (chlorosulfonyloxyamino)-oxomethane.
What is the SMILES notation for (chlorosulfonyloxyamino)-oxomethane?
The canonical SMILES for (chlorosulfonyloxyamino)-oxomethane is O=CNOS(=O)(=O)Cl.
What is the InChIKey of (chlorosulfonyloxyamino)-oxomethane?
The InChIKey is JFCFSNLOWTZQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2ClNO4S/c2-8(5,6)7-3-1-4/h1H,(H,3,4).
What are the key properties of (chlorosulfonyloxyamino)-oxomethane?
(chlorosulfonyloxyamino)-oxomethane has a molecular weight of 159.55 g/mol, XLogP of -0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (chlorosulfonyloxyamino)-oxomethane is sourced from PubChem (CID 174881527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).