2-[(4-fluorophenyl)sulfonylamino]ethanimidamide;hydrochloride

C8H11ClFN3O2S — CID 71756819

IUPAC2-[(4-fluorophenyl)sulfonylamino]ethanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C8H10FN3O2S.ClH/c9-6-1-3-7(4-2-6)15(13,14)12-5-8(10)11;/h1-4,12H,5H2,(H3,10,11);1H
InChIKeyCNRHPFNJCWIBNS-UHFFFAOYSA-N
MW267.71 g/mol
LogP0.46
Rot. Bonds4

About 2-[(4-fluorophenyl)sulfonylamino]ethanimidamide;hydrochloride

2-[(4-fluorophenyl)sulfonylamino]ethanimidamide;hydrochloride (PubChem CID 71756819) has the molecular formula C8H11ClFN3O2S and a molecular weight of 267.71 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonylamino]ethanimidamide;hydrochloride.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonylamino]ethanimidamide;hydrochloride
PubChem CID71756819
Molecular FormulaC8H11ClFN3O2S
Molecular Weight267.71 g/mol
Exact Mass267.02
IUPAC Name2-[(4-fluorophenyl)sulfonylamino]ethanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C8H10FN3O2S.ClH/c9-6-1-3-7(4-2-6)15(13,14)12-5-8(10)11;/h1-4,12H,5H2,(H3,10,11);1H
InChIKeyCNRHPFNJCWIBNS-UHFFFAOYSA-N
XLogP0.46
TPSA96.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 50.46
H-Bond Donors ≤ 53
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-[(4-fluorophenyl)sulfonylamino]ethanimidamide;hydrochloride?
The IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]ethanimidamide;hydrochloride (CID 71756819) is 2-[(4-fluorophenyl)sulfonylamino]ethanimidamide;hydrochloride.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonylamino]ethanimidamide;hydrochloride?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonylamino]ethanimidamide;hydrochloride is Cl.[H]/N=C(\N)CNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonylamino]ethanimidamide;hydrochloride?
The InChIKey is CNRHPFNJCWIBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O2S.ClH/c9-6-1-3-7(4-2-6)15(13,14)12-5-8(10)11;/h1-4,12H,5H2,(H3,10,11);1H.
What are the key properties of 2-[(4-fluorophenyl)sulfonylamino]ethanimidamide;hydrochloride?
2-[(4-fluorophenyl)sulfonylamino]ethanimidamide;hydrochloride has a molecular weight of 267.71 g/mol, XLogP of 0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonylamino]ethanimidamide;hydrochloride is sourced from PubChem (CID 71756819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).