2-(benzenesulfonyl)ethanimidamide

C8H10N2O2S — CID 12716927

IUPAC2-(benzenesulfonyl)ethanimidamide
SMILES[H]/N=C(\N)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C8H10N2O2S/c9-8(10)6-13(11,12)7-4-2-1-3-5-7/h1-5H,6H2,(H3,9,10)
InChIKeyPPUBWVOQBYPLAB-UHFFFAOYSA-N
MW198.25 g/mol
LogP0.40
Rot. Bonds3

About 2-(benzenesulfonyl)ethanimidamide

2-(benzenesulfonyl)ethanimidamide (PubChem CID 12716927) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is 2-(benzenesulfonyl)ethanimidamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)ethanimidamide
PubChem CID12716927
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Name2-(benzenesulfonyl)ethanimidamide
SMILES[H]/N=C(\N)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C8H10N2O2S/c9-8(10)6-13(11,12)7-4-2-1-3-5-7/h1-5H,6H2,(H3,9,10)
InChIKeyPPUBWVOQBYPLAB-UHFFFAOYSA-N
XLogP0.40
TPSA84.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)ethanimidamide?
The IUPAC name of 2-(benzenesulfonyl)ethanimidamide (CID 12716927) is 2-(benzenesulfonyl)ethanimidamide.
What is the SMILES notation for 2-(benzenesulfonyl)ethanimidamide?
The canonical SMILES for 2-(benzenesulfonyl)ethanimidamide is [H]/N=C(\N)CS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)ethanimidamide?
The InChIKey is PPUBWVOQBYPLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c9-8(10)6-13(11,12)7-4-2-1-3-5-7/h1-5H,6H2,(H3,9,10).
What are the key properties of 2-(benzenesulfonyl)ethanimidamide?
2-(benzenesulfonyl)ethanimidamide has a molecular weight of 198.25 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)ethanimidamide is sourced from PubChem (CID 12716927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).