2-amino-2-(4-fluorophenyl)sulfonylimino-N-methylethanimidoyl chloride

C9H9ClFN3O2S — CID 173381631

IUPAC2-amino-2-(4-fluorophenyl)sulfonylimino-N-methylethanimidoyl chloride
SMILESC/N=C(\Cl)C(N)=NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C9H9ClFN3O2S/c1-13-8(10)9(12)14-17(15,16)7-4-2-6(11)3-5-7/h2-5H,1H3,(H2,12,14)/b13-8-
InChIKeyOHKVKRWLOGHHFL-JYRVWZFOSA-N
MW277.71 g/mol
LogP1.14
Rot. Bonds3

About 2-amino-2-(4-fluorophenyl)sulfonylimino-N-methylethanimidoyl chloride

2-amino-2-(4-fluorophenyl)sulfonylimino-N-methylethanimidoyl chloride (PubChem CID 173381631) has the molecular formula C9H9ClFN3O2S and a molecular weight of 277.71 g/mol. Its IUPAC name is 2-amino-2-(4-fluorophenyl)sulfonylimino-N-methylethanimidoyl chloride.

Molecular Properties

Compound Name2-amino-2-(4-fluorophenyl)sulfonylimino-N-methylethanimidoyl chloride
PubChem CID173381631
Molecular FormulaC9H9ClFN3O2S
Molecular Weight277.71 g/mol
Exact Mass277.01
IUPAC Name2-amino-2-(4-fluorophenyl)sulfonylimino-N-methylethanimidoyl chloride
SMILESC/N=C(\Cl)C(N)=NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C9H9ClFN3O2S/c1-13-8(10)9(12)14-17(15,16)7-4-2-6(11)3-5-7/h2-5H,1H3,(H2,12,14)/b13-8-
InChIKeyOHKVKRWLOGHHFL-JYRVWZFOSA-N
XLogP1.14
TPSA84.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 51.14
H-Bond Donors ≤ 51
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-amino-2-(4-fluorophenyl)sulfonylimino-N-methylethanimidoyl chloride?
The IUPAC name of 2-amino-2-(4-fluorophenyl)sulfonylimino-N-methylethanimidoyl chloride (CID 173381631) is 2-amino-2-(4-fluorophenyl)sulfonylimino-N-methylethanimidoyl chloride.
What is the SMILES notation for 2-amino-2-(4-fluorophenyl)sulfonylimino-N-methylethanimidoyl chloride?
The canonical SMILES for 2-amino-2-(4-fluorophenyl)sulfonylimino-N-methylethanimidoyl chloride is C/N=C(\Cl)C(N)=NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-amino-2-(4-fluorophenyl)sulfonylimino-N-methylethanimidoyl chloride?
The InChIKey is OHKVKRWLOGHHFL-JYRVWZFOSA-N. The full InChI is InChI=1S/C9H9ClFN3O2S/c1-13-8(10)9(12)14-17(15,16)7-4-2-6(11)3-5-7/h2-5H,1H3,(H2,12,14)/b13-8-.
What are the key properties of 2-amino-2-(4-fluorophenyl)sulfonylimino-N-methylethanimidoyl chloride?
2-amino-2-(4-fluorophenyl)sulfonylimino-N-methylethanimidoyl chloride has a molecular weight of 277.71 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-fluorophenyl)sulfonylimino-N-methylethanimidoyl chloride is sourced from PubChem (CID 173381631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).