(4-fluorophenyl)methyl 2-(benzenesulfonamido)acetate

C15H14FNO4S — CID 957094

IUPAC(4-fluorophenyl)methyl 2-(benzenesulfonamido)acetate
SMILESO=C(CNS(=O)(=O)c1ccccc1)OCc1ccc(F)cc1
InChIInChI=1S/C15H14FNO4S/c16-13-8-6-12(7-9-13)11-21-15(18)10-17-22(19,20)14-4-2-1-3-5-14/h1-9,17H,10-11H2
InChIKeyCFJNNPQIKJZNEN-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.85
Rot. Bonds6

About (4-fluorophenyl)methyl 2-(benzenesulfonamido)acetate

(4-fluorophenyl)methyl 2-(benzenesulfonamido)acetate (PubChem CID 957094) has the molecular formula C15H14FNO4S and a molecular weight of 323.35 g/mol. Its IUPAC name is (4-fluorophenyl)methyl 2-(benzenesulfonamido)acetate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl 2-(benzenesulfonamido)acetate
PubChem CID957094
Molecular FormulaC15H14FNO4S
Molecular Weight323.35 g/mol
Exact Mass323.06
IUPAC Name(4-fluorophenyl)methyl 2-(benzenesulfonamido)acetate
SMILESO=C(CNS(=O)(=O)c1ccccc1)OCc1ccc(F)cc1
InChIInChI=1S/C15H14FNO4S/c16-13-8-6-12(7-9-13)11-21-15(18)10-17-22(19,20)14-4-2-1-3-5-14/h1-9,17H,10-11H2
InChIKeyCFJNNPQIKJZNEN-UHFFFAOYSA-N
XLogP1.85
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-fluorophenyl)methyl 2-(benzenesulfonamido)acetate 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 (4-fluorophenyl)methyl 2-(benzenesulfonamido)acetate?
The IUPAC name of (4-fluorophenyl)methyl 2-(benzenesulfonamido)acetate (CID 957094) is (4-fluorophenyl)methyl 2-(benzenesulfonamido)acetate.
What is the SMILES notation for (4-fluorophenyl)methyl 2-(benzenesulfonamido)acetate?
The canonical SMILES for (4-fluorophenyl)methyl 2-(benzenesulfonamido)acetate is O=C(CNS(=O)(=O)c1ccccc1)OCc1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)methyl 2-(benzenesulfonamido)acetate?
The InChIKey is CFJNNPQIKJZNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO4S/c16-13-8-6-12(7-9-13)11-21-15(18)10-17-22(19,20)14-4-2-1-3-5-14/h1-9,17H,10-11H2.
What are the key properties of (4-fluorophenyl)methyl 2-(benzenesulfonamido)acetate?
(4-fluorophenyl)methyl 2-(benzenesulfonamido)acetate has a molecular weight of 323.35 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl 2-(benzenesulfonamido)acetate is sourced from PubChem (CID 957094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).