3-ethenyl-4-fluoro-2-(methylideneamino)benzenesulfonyl chloride

C9H7ClFNO2S — CID 144700015

IUPAC3-ethenyl-4-fluoro-2-(methylideneamino)benzenesulfonyl chloride
SMILESC=Cc1c(F)ccc(S(=O)(=O)Cl)c1N=C
InChIInChI=1S/C9H7ClFNO2S/c1-3-6-7(11)4-5-8(9(6)12-2)15(10,13)14/h3-5H,1-2H2
InChIKeyIQBQGTMHUUXEGV-UHFFFAOYSA-N
MW247.68 g/mol
LogP2.73
Rot. Bonds3

About 3-ethenyl-4-fluoro-2-(methylideneamino)benzenesulfonyl chloride

3-ethenyl-4-fluoro-2-(methylideneamino)benzenesulfonyl chloride (PubChem CID 144700015) has the molecular formula C9H7ClFNO2S and a molecular weight of 247.68 g/mol. Its IUPAC name is 3-ethenyl-4-fluoro-2-(methylideneamino)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-ethenyl-4-fluoro-2-(methylideneamino)benzenesulfonyl chloride
PubChem CID144700015
Molecular FormulaC9H7ClFNO2S
Molecular Weight247.68 g/mol
Exact Mass246.99
IUPAC Name3-ethenyl-4-fluoro-2-(methylideneamino)benzenesulfonyl chloride
SMILESC=Cc1c(F)ccc(S(=O)(=O)Cl)c1N=C
InChIInChI=1S/C9H7ClFNO2S/c1-3-6-7(11)4-5-8(9(6)12-2)15(10,13)14/h3-5H,1-2H2
InChIKeyIQBQGTMHUUXEGV-UHFFFAOYSA-N
XLogP2.73
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.68
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-ethenyl-4-fluoro-2-(methylideneamino)benzenesulfonyl chloride?
The IUPAC name of 3-ethenyl-4-fluoro-2-(methylideneamino)benzenesulfonyl chloride (CID 144700015) is 3-ethenyl-4-fluoro-2-(methylideneamino)benzenesulfonyl chloride.
What is the SMILES notation for 3-ethenyl-4-fluoro-2-(methylideneamino)benzenesulfonyl chloride?
The canonical SMILES for 3-ethenyl-4-fluoro-2-(methylideneamino)benzenesulfonyl chloride is C=Cc1c(F)ccc(S(=O)(=O)Cl)c1N=C.
What is the InChIKey of 3-ethenyl-4-fluoro-2-(methylideneamino)benzenesulfonyl chloride?
The InChIKey is IQBQGTMHUUXEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFNO2S/c1-3-6-7(11)4-5-8(9(6)12-2)15(10,13)14/h3-5H,1-2H2.
What are the key properties of 3-ethenyl-4-fluoro-2-(methylideneamino)benzenesulfonyl chloride?
3-ethenyl-4-fluoro-2-(methylideneamino)benzenesulfonyl chloride has a molecular weight of 247.68 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-4-fluoro-2-(methylideneamino)benzenesulfonyl chloride is sourced from PubChem (CID 144700015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).