(chlorosulfonyloxyamino)ethane

C2H6ClNO3S — CID 88632984

IUPAC(chlorosulfonyloxyamino)ethane
SMILESCCNOS(=O)(=O)Cl
InChIInChI=1S/C2H6ClNO3S/c1-2-4-7-8(3,5)6/h4H,2H2,1H3
InChIKeyIMOARWVHJNMHCD-UHFFFAOYSA-N
MW159.59 g/mol
LogP0.01
Rot. Bonds3

About (chlorosulfonyloxyamino)ethane

(chlorosulfonyloxyamino)ethane (PubChem CID 88632984) has the molecular formula C2H6ClNO3S and a molecular weight of 159.59 g/mol. Its IUPAC name is (chlorosulfonyloxyamino)ethane.

Molecular Properties

Compound Name(chlorosulfonyloxyamino)ethane
PubChem CID88632984
Molecular FormulaC2H6ClNO3S
Molecular Weight159.59 g/mol
Exact Mass158.98
IUPAC Name(chlorosulfonyloxyamino)ethane
SMILESCCNOS(=O)(=O)Cl
InChIInChI=1S/C2H6ClNO3S/c1-2-4-7-8(3,5)6/h4H,2H2,1H3
InChIKeyIMOARWVHJNMHCD-UHFFFAOYSA-N
XLogP0.01
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.59
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (chlorosulfonyloxyamino)ethane?
The IUPAC name of (chlorosulfonyloxyamino)ethane (CID 88632984) is (chlorosulfonyloxyamino)ethane.
What is the SMILES notation for (chlorosulfonyloxyamino)ethane?
The canonical SMILES for (chlorosulfonyloxyamino)ethane is CCNOS(=O)(=O)Cl.
What is the InChIKey of (chlorosulfonyloxyamino)ethane?
The InChIKey is IMOARWVHJNMHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6ClNO3S/c1-2-4-7-8(3,5)6/h4H,2H2,1H3.
What are the key properties of (chlorosulfonyloxyamino)ethane?
(chlorosulfonyloxyamino)ethane has a molecular weight of 159.59 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (chlorosulfonyloxyamino)ethane is sourced from PubChem (CID 88632984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).