4-(benzylideneamino)-3-fluorobenzenesulfonamide

C13H11FN2O2S — CID 118716952

IUPAC4-(benzylideneamino)-3-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=C/c2ccccc2)c(F)c1
InChIInChI=1S/C13H11FN2O2S/c14-12-8-11(19(15,17)18)6-7-13(12)16-9-10-4-2-1-3-5-10/h1-9H,(H2,15,17,18)/b16-9+
InChIKeyUWUQPEHKDIEMGT-CXUHLZMHSA-N
MW278.31 g/mol
LogP2.22
Rot. Bonds3

About 4-(benzylideneamino)-3-fluorobenzenesulfonamide

4-(benzylideneamino)-3-fluorobenzenesulfonamide (PubChem CID 118716952) has the molecular formula C13H11FN2O2S and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-(benzylideneamino)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-(benzylideneamino)-3-fluorobenzenesulfonamide
PubChem CID118716952
Molecular FormulaC13H11FN2O2S
Molecular Weight278.31 g/mol
Exact Mass278.05
IUPAC Name4-(benzylideneamino)-3-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=C/c2ccccc2)c(F)c1
InChIInChI=1S/C13H11FN2O2S/c14-12-8-11(19(15,17)18)6-7-13(12)16-9-10-4-2-1-3-5-10/h1-9H,(H2,15,17,18)/b16-9+
InChIKeyUWUQPEHKDIEMGT-CXUHLZMHSA-N
XLogP2.22
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.22
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 4-(benzylideneamino)-3-fluorobenzenesulfonamide?
The IUPAC name of 4-(benzylideneamino)-3-fluorobenzenesulfonamide (CID 118716952) is 4-(benzylideneamino)-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-(benzylideneamino)-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-(benzylideneamino)-3-fluorobenzenesulfonamide is NS(=O)(=O)c1ccc(/N=C/c2ccccc2)c(F)c1.
What is the InChIKey of 4-(benzylideneamino)-3-fluorobenzenesulfonamide?
The InChIKey is UWUQPEHKDIEMGT-CXUHLZMHSA-N. The full InChI is InChI=1S/C13H11FN2O2S/c14-12-8-11(19(15,17)18)6-7-13(12)16-9-10-4-2-1-3-5-10/h1-9H,(H2,15,17,18)/b16-9+.
What are the key properties of 4-(benzylideneamino)-3-fluorobenzenesulfonamide?
4-(benzylideneamino)-3-fluorobenzenesulfonamide has a molecular weight of 278.31 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylideneamino)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 118716952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).