N-(4-ethoxyphenyl)-3-fluorobenzenesulfonamide

C14H14FNO3S — CID 889058

IUPACN-(4-ethoxyphenyl)-3-fluorobenzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C14H14FNO3S/c1-2-19-13-8-6-12(7-9-13)16-20(17,18)14-5-3-4-11(15)10-14/h3-10,16H,2H2,1H3
InChIKeyFNDUWCLSVHGEJG-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.03
Rot. Bonds5

About N-(4-ethoxyphenyl)-3-fluorobenzenesulfonamide

N-(4-ethoxyphenyl)-3-fluorobenzenesulfonamide (PubChem CID 889058) has the molecular formula C14H14FNO3S and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3-fluorobenzenesulfonamide
PubChem CID889058
Molecular FormulaC14H14FNO3S
Molecular Weight295.34 g/mol
Exact Mass295.07
IUPAC NameN-(4-ethoxyphenyl)-3-fluorobenzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C14H14FNO3S/c1-2-19-13-8-6-12(7-9-13)16-20(17,18)14-5-3-4-11(15)10-14/h3-10,16H,2H2,1H3
InChIKeyFNDUWCLSVHGEJG-UHFFFAOYSA-N
XLogP3.03
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3-fluorobenzenesulfonamide?
The IUPAC name of N-(4-ethoxyphenyl)-3-fluorobenzenesulfonamide (CID 889058) is N-(4-ethoxyphenyl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-3-fluorobenzenesulfonamide?
The canonical SMILES for N-(4-ethoxyphenyl)-3-fluorobenzenesulfonamide is CCOc1ccc(NS(=O)(=O)c2cccc(F)c2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3-fluorobenzenesulfonamide?
The InChIKey is FNDUWCLSVHGEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3S/c1-2-19-13-8-6-12(7-9-13)16-20(17,18)14-5-3-4-11(15)10-14/h3-10,16H,2H2,1H3.
What are the key properties of N-(4-ethoxyphenyl)-3-fluorobenzenesulfonamide?
N-(4-ethoxyphenyl)-3-fluorobenzenesulfonamide has a molecular weight of 295.34 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 889058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).