3-fluoro-4-[(4-phenylphenyl)methylideneamino]benzenesulfonamide

C19H15FN2O2S — CID 118716954

IUPAC3-fluoro-4-[(4-phenylphenyl)methylideneamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=C/c2ccc(-c3ccccc3)cc2)c(F)c1
InChIInChI=1S/C19H15FN2O2S/c20-18-12-17(25(21,23)24)10-11-19(18)22-13-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-13H,(H2,21,23,24)/b22-13+
InChIKeyHYXTYLFQZVBGCI-LPYMAVHISA-N
MW354.41 g/mol
LogP3.89
Rot. Bonds4

About 3-fluoro-4-[(4-phenylphenyl)methylideneamino]benzenesulfonamide

3-fluoro-4-[(4-phenylphenyl)methylideneamino]benzenesulfonamide (PubChem CID 118716954) has the molecular formula C19H15FN2O2S and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-fluoro-4-[(4-phenylphenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-[(4-phenylphenyl)methylideneamino]benzenesulfonamide
PubChem CID118716954
Molecular FormulaC19H15FN2O2S
Molecular Weight354.41 g/mol
Exact Mass354.08
IUPAC Name3-fluoro-4-[(4-phenylphenyl)methylideneamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=C/c2ccc(-c3ccccc3)cc2)c(F)c1
InChIInChI=1S/C19H15FN2O2S/c20-18-12-17(25(21,23)24)10-11-19(18)22-13-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-13H,(H2,21,23,24)/b22-13+
InChIKeyHYXTYLFQZVBGCI-LPYMAVHISA-N
XLogP3.89
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.89
H-Bond Donors ≤ 51
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-fluoro-4-[(4-phenylphenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of 3-fluoro-4-[(4-phenylphenyl)methylideneamino]benzenesulfonamide (CID 118716954) is 3-fluoro-4-[(4-phenylphenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-[(4-phenylphenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-[(4-phenylphenyl)methylideneamino]benzenesulfonamide is NS(=O)(=O)c1ccc(/N=C/c2ccc(-c3ccccc3)cc2)c(F)c1.
What is the InChIKey of 3-fluoro-4-[(4-phenylphenyl)methylideneamino]benzenesulfonamide?
The InChIKey is HYXTYLFQZVBGCI-LPYMAVHISA-N. The full InChI is InChI=1S/C19H15FN2O2S/c20-18-12-17(25(21,23)24)10-11-19(18)22-13-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-13H,(H2,21,23,24)/b22-13+.
What are the key properties of 3-fluoro-4-[(4-phenylphenyl)methylideneamino]benzenesulfonamide?
3-fluoro-4-[(4-phenylphenyl)methylideneamino]benzenesulfonamide has a molecular weight of 354.41 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(4-phenylphenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 118716954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).