N-(2-ethylphenyl)-4-fluorobenzenesulfonamide

C14H14FNO2S — CID 711077

IUPACN-(2-ethylphenyl)-4-fluorobenzenesulfonamide
SMILESCCc1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H14FNO2S/c1-2-11-5-3-4-6-14(11)16-19(17,18)13-9-7-12(15)8-10-13/h3-10,16H,2H2,1H3
InChIKeyYVBUUDWZBNQYOZ-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.19
Rot. Bonds4

About N-(2-ethylphenyl)-4-fluorobenzenesulfonamide

N-(2-ethylphenyl)-4-fluorobenzenesulfonamide (PubChem CID 711077) has the molecular formula C14H14FNO2S and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(2-ethylphenyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-4-fluorobenzenesulfonamide
PubChem CID711077
Molecular FormulaC14H14FNO2S
Molecular Weight279.34 g/mol
Exact Mass279.07
IUPAC NameN-(2-ethylphenyl)-4-fluorobenzenesulfonamide
SMILESCCc1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H14FNO2S/c1-2-11-5-3-4-6-14(11)16-19(17,18)13-9-7-12(15)8-10-13/h3-10,16H,2H2,1H3
InChIKeyYVBUUDWZBNQYOZ-UHFFFAOYSA-N
XLogP3.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-ethylphenyl)-4-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-(2-ethylphenyl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(2-ethylphenyl)-4-fluorobenzenesulfonamide (CID 711077) is N-(2-ethylphenyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2-ethylphenyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(2-ethylphenyl)-4-fluorobenzenesulfonamide is CCc1ccccc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(2-ethylphenyl)-4-fluorobenzenesulfonamide?
The InChIKey is YVBUUDWZBNQYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2S/c1-2-11-5-3-4-6-14(11)16-19(17,18)13-9-7-12(15)8-10-13/h3-10,16H,2H2,1H3.
What are the key properties of N-(2-ethylphenyl)-4-fluorobenzenesulfonamide?
N-(2-ethylphenyl)-4-fluorobenzenesulfonamide has a molecular weight of 279.34 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 711077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).