(1E)-N-(benzenesulfonyl)-4-fluorobenzenecarboximidoyl chloride

C13H9ClFNO2S — CID 18871869

IUPAC(1E)-N-(benzenesulfonyl)-4-fluorobenzenecarboximidoyl chloride
SMILESO=S(=O)(/N=C(/Cl)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C13H9ClFNO2S/c14-13(10-6-8-11(15)9-7-10)16-19(17,18)12-4-2-1-3-5-12/h1-9H/b16-13+
InChIKeyOBAZKLYFZWRQBF-DTQAZKPQSA-N
MW297.74 g/mol
LogP3.20
Rot. Bonds3

About (1E)-N-(benzenesulfonyl)-4-fluorobenzenecarboximidoyl chloride

(1E)-N-(benzenesulfonyl)-4-fluorobenzenecarboximidoyl chloride (PubChem CID 18871869) has the molecular formula C13H9ClFNO2S and a molecular weight of 297.74 g/mol. Its IUPAC name is (1E)-N-(benzenesulfonyl)-4-fluorobenzenecarboximidoyl chloride.

Molecular Properties

Compound Name(1E)-N-(benzenesulfonyl)-4-fluorobenzenecarboximidoyl chloride
PubChem CID18871869
Molecular FormulaC13H9ClFNO2S
Molecular Weight297.74 g/mol
Exact Mass297.00
IUPAC Name(1E)-N-(benzenesulfonyl)-4-fluorobenzenecarboximidoyl chloride
SMILESO=S(=O)(/N=C(/Cl)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C13H9ClFNO2S/c14-13(10-6-8-11(15)9-7-10)16-19(17,18)12-4-2-1-3-5-12/h1-9H/b16-13+
InChIKeyOBAZKLYFZWRQBF-DTQAZKPQSA-N
XLogP3.20
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E)-N-(benzenesulfonyl)-4-fluorobenzenecarboximidoyl chloride?
The IUPAC name of (1E)-N-(benzenesulfonyl)-4-fluorobenzenecarboximidoyl chloride (CID 18871869) is (1E)-N-(benzenesulfonyl)-4-fluorobenzenecarboximidoyl chloride.
What is the SMILES notation for (1E)-N-(benzenesulfonyl)-4-fluorobenzenecarboximidoyl chloride?
The canonical SMILES for (1E)-N-(benzenesulfonyl)-4-fluorobenzenecarboximidoyl chloride is O=S(=O)(/N=C(/Cl)c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of (1E)-N-(benzenesulfonyl)-4-fluorobenzenecarboximidoyl chloride?
The InChIKey is OBAZKLYFZWRQBF-DTQAZKPQSA-N. The full InChI is InChI=1S/C13H9ClFNO2S/c14-13(10-6-8-11(15)9-7-10)16-19(17,18)12-4-2-1-3-5-12/h1-9H/b16-13+.
What are the key properties of (1E)-N-(benzenesulfonyl)-4-fluorobenzenecarboximidoyl chloride?
(1E)-N-(benzenesulfonyl)-4-fluorobenzenecarboximidoyl chloride has a molecular weight of 297.74 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N-(benzenesulfonyl)-4-fluorobenzenecarboximidoyl chloride is sourced from PubChem (CID 18871869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).