N-(2,6-dimethylphenyl)-4-fluorobenzenesulfonamide

C14H14FNO2S — CID 647368

IUPACN-(2,6-dimethylphenyl)-4-fluorobenzenesulfonamide
SMILESCc1cccc(C)c1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H14FNO2S/c1-10-4-3-5-11(2)14(10)16-19(17,18)13-8-6-12(15)7-9-13/h3-9,16H,1-2H3
InChIKeyAOYUMWKKMUETCN-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.24
Rot. Bonds3

About N-(2,6-dimethylphenyl)-4-fluorobenzenesulfonamide

N-(2,6-dimethylphenyl)-4-fluorobenzenesulfonamide (PubChem CID 647368) has the molecular formula C14H14FNO2S and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-4-fluorobenzenesulfonamide
PubChem CID647368
Molecular FormulaC14H14FNO2S
Molecular Weight279.34 g/mol
Exact Mass279.07
IUPAC NameN-(2,6-dimethylphenyl)-4-fluorobenzenesulfonamide
SMILESCc1cccc(C)c1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H14FNO2S/c1-10-4-3-5-11(2)14(10)16-19(17,18)13-8-6-12(15)7-9-13/h3-9,16H,1-2H3
InChIKeyAOYUMWKKMUETCN-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

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(2,6-dimethylphenyl)-4-fluorobenzenesulfonamide (CID 647368) is N-(2,6-dimethylphenyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-4-fluorobenzenesulfonamide is Cc1cccc(C)c1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-4-fluorobenzenesulfonamide?
The InChIKey is AOYUMWKKMUETCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2S/c1-10-4-3-5-11(2)14(10)16-19(17,18)13-8-6-12(15)7-9-13/h3-9,16H,1-2H3.
What are the key properties of N-(2,6-dimethylphenyl)-4-fluorobenzenesulfonamide?
N-(2,6-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-(2,6-dimethylphenyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 647368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).