N-(3,5-dimethylphenyl)-4-fluorobenzenesulfonamide

C14H14FNO2S — CID 711101

IUPACN-(3,5-dimethylphenyl)-4-fluorobenzenesulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C14H14FNO2S/c1-10-7-11(2)9-13(8-10)16-19(17,18)14-5-3-12(15)4-6-14/h3-9,16H,1-2H3
InChIKeyASNIVCLBBSXZDX-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.24
Rot. Bonds3

About N-(3,5-dimethylphenyl)-4-fluorobenzenesulfonamide

N-(3,5-dimethylphenyl)-4-fluorobenzenesulfonamide (PubChem CID 711101) has the molecular formula C14H14FNO2S and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-fluorobenzenesulfonamide
PubChem CID711101
Molecular FormulaC14H14FNO2S
Molecular Weight279.34 g/mol
Exact Mass279.07
IUPAC NameN-(3,5-dimethylphenyl)-4-fluorobenzenesulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C14H14FNO2S/c1-10-7-11(2)9-13(8-10)16-19(17,18)14-5-3-12(15)4-6-14/h3-9,16H,1-2H3
InChIKeyASNIVCLBBSXZDX-UHFFFAOYSA-N
XLogP3.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3,5-dimethylphenyl)-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-(3,5-dimethylphenyl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(3,5-dimethylphenyl)-4-fluorobenzenesulfonamide (CID 711101) is N-(3,5-dimethylphenyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-fluorobenzenesulfonamide is Cc1cc(C)cc(NS(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-fluorobenzenesulfonamide?
The InChIKey is ASNIVCLBBSXZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2S/c1-10-7-11(2)9-13(8-10)16-19(17,18)14-5-3-12(15)4-6-14/h3-9,16H,1-2H3.
What are the key properties of N-(3,5-dimethylphenyl)-4-fluorobenzenesulfonamide?
N-(3,5-dimethylphenyl)-4-fluorobenzenesulfonamide has a molecular weight of 279.34 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 711101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).