N-benzyl-2-fluorobenzenesulfonamide

C13H12FNO2S — CID 697741

IUPACN-benzyl-2-fluorobenzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1)c1ccccc1F
InChIInChI=1S/C13H12FNO2S/c14-12-8-4-5-9-13(12)18(16,17)15-10-11-6-2-1-3-7-11/h1-9,15H,10H2
InChIKeyMETRFHNTRLMKIL-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.30
Rot. Bonds4

About N-benzyl-2-fluorobenzenesulfonamide

N-benzyl-2-fluorobenzenesulfonamide (PubChem CID 697741) has the molecular formula C13H12FNO2S and a molecular weight of 265.31 g/mol. Its IUPAC name is N-benzyl-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-2-fluorobenzenesulfonamide
PubChem CID697741
Molecular FormulaC13H12FNO2S
Molecular Weight265.31 g/mol
Exact Mass265.06
IUPAC NameN-benzyl-2-fluorobenzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1)c1ccccc1F
InChIInChI=1S/C13H12FNO2S/c14-12-8-4-5-9-13(12)18(16,17)15-10-11-6-2-1-3-7-11/h1-9,15H,10H2
InChIKeyMETRFHNTRLMKIL-UHFFFAOYSA-N
XLogP2.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-benzyl-2-fluorobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-fluorobenzenesulfonamide?
The IUPAC name of N-benzyl-2-fluorobenzenesulfonamide (CID 697741) is N-benzyl-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-benzyl-2-fluorobenzenesulfonamide?
The canonical SMILES for N-benzyl-2-fluorobenzenesulfonamide is O=S(=O)(NCc1ccccc1)c1ccccc1F.
What is the InChIKey of N-benzyl-2-fluorobenzenesulfonamide?
The InChIKey is METRFHNTRLMKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2S/c14-12-8-4-5-9-13(12)18(16,17)15-10-11-6-2-1-3-7-11/h1-9,15H,10H2.
What are the key properties of N-benzyl-2-fluorobenzenesulfonamide?
N-benzyl-2-fluorobenzenesulfonamide has a molecular weight of 265.31 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-fluorobenzenesulfonamide is sourced from PubChem (CID 697741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).