[4-(4-fluorophenyl)-4-oxobutyl] 2-[(4-fluorophenyl)sulfonylamino]acetate

C18H17F2NO5S — CID 7954247

IUPAC[4-(4-fluorophenyl)-4-oxobutyl] 2-[(4-fluorophenyl)sulfonylamino]acetate
SMILESO=C(CNS(=O)(=O)c1ccc(F)cc1)OCCCC(=O)c1ccc(F)cc1
InChIInChI=1S/C18H17F2NO5S/c19-14-5-3-13(4-6-14)17(22)2-1-11-26-18(23)12-21-27(24,25)16-9-7-15(20)8-10-16/h3-10,21H,1-2,11-12H2
InChIKeyOHHZCUNABXHGEO-UHFFFAOYSA-N
MW397.40 g/mol
LogP2.45
Rot. Bonds9

About [4-(4-fluorophenyl)-4-oxobutyl] 2-[(4-fluorophenyl)sulfonylamino]acetate

[4-(4-fluorophenyl)-4-oxobutyl] 2-[(4-fluorophenyl)sulfonylamino]acetate (PubChem CID 7954247) has the molecular formula C18H17F2NO5S and a molecular weight of 397.40 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-4-oxobutyl] 2-[(4-fluorophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-4-oxobutyl] 2-[(4-fluorophenyl)sulfonylamino]acetate
PubChem CID7954247
Molecular FormulaC18H17F2NO5S
Molecular Weight397.40 g/mol
Exact Mass397.08
IUPAC Name[4-(4-fluorophenyl)-4-oxobutyl] 2-[(4-fluorophenyl)sulfonylamino]acetate
SMILESO=C(CNS(=O)(=O)c1ccc(F)cc1)OCCCC(=O)c1ccc(F)cc1
InChIInChI=1S/C18H17F2NO5S/c19-14-5-3-13(4-6-14)17(22)2-1-11-26-18(23)12-21-27(24,25)16-9-7-15(20)8-10-16/h3-10,21H,1-2,11-12H2
InChIKeyOHHZCUNABXHGEO-UHFFFAOYSA-N
XLogP2.45
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [4-(4-fluorophenyl)-4-oxobutyl] 2-[(4-fluorophenyl)sulfonylamino]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-(4-fluorophenyl)-4-oxobutyl] 2-[(4-fluorophenyl)sulfonylamino]acetate?
The IUPAC name of [4-(4-fluorophenyl)-4-oxobutyl] 2-[(4-fluorophenyl)sulfonylamino]acetate (CID 7954247) is [4-(4-fluorophenyl)-4-oxobutyl] 2-[(4-fluorophenyl)sulfonylamino]acetate.
What is the SMILES notation for [4-(4-fluorophenyl)-4-oxobutyl] 2-[(4-fluorophenyl)sulfonylamino]acetate?
The canonical SMILES for [4-(4-fluorophenyl)-4-oxobutyl] 2-[(4-fluorophenyl)sulfonylamino]acetate is O=C(CNS(=O)(=O)c1ccc(F)cc1)OCCCC(=O)c1ccc(F)cc1.
What is the InChIKey of [4-(4-fluorophenyl)-4-oxobutyl] 2-[(4-fluorophenyl)sulfonylamino]acetate?
The InChIKey is OHHZCUNABXHGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO5S/c19-14-5-3-13(4-6-14)17(22)2-1-11-26-18(23)12-21-27(24,25)16-9-7-15(20)8-10-16/h3-10,21H,1-2,11-12H2.
What are the key properties of [4-(4-fluorophenyl)-4-oxobutyl] 2-[(4-fluorophenyl)sulfonylamino]acetate?
[4-(4-fluorophenyl)-4-oxobutyl] 2-[(4-fluorophenyl)sulfonylamino]acetate has a molecular weight of 397.40 g/mol, XLogP of 2.45, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-4-oxobutyl] 2-[(4-fluorophenyl)sulfonylamino]acetate is sourced from PubChem (CID 7954247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).