2-(2-fluorophenoxy)ethyl 2-[(4-methylphenyl)sulfonylamino]acetate

C17H18FNO5S — CID 2528367

IUPAC2-(2-fluorophenoxy)ethyl 2-[(4-methylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)NCC(=O)OCCOc2ccccc2F)cc1
InChIInChI=1S/C17H18FNO5S/c1-13-6-8-14(9-7-13)25(21,22)19-12-17(20)24-11-10-23-16-5-3-2-4-15(16)18/h2-9,19H,10-12H2,1H3
InChIKeyODUGAHVXMMLNFU-UHFFFAOYSA-N
MW367.40 g/mol
LogP2.03
Rot. Bonds8

About 2-(2-fluorophenoxy)ethyl 2-[(4-methylphenyl)sulfonylamino]acetate

2-(2-fluorophenoxy)ethyl 2-[(4-methylphenyl)sulfonylamino]acetate (PubChem CID 2528367) has the molecular formula C17H18FNO5S and a molecular weight of 367.40 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)ethyl 2-[(4-methylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name2-(2-fluorophenoxy)ethyl 2-[(4-methylphenyl)sulfonylamino]acetate
PubChem CID2528367
Molecular FormulaC17H18FNO5S
Molecular Weight367.40 g/mol
Exact Mass367.09
IUPAC Name2-(2-fluorophenoxy)ethyl 2-[(4-methylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)NCC(=O)OCCOc2ccccc2F)cc1
InChIInChI=1S/C17H18FNO5S/c1-13-6-8-14(9-7-13)25(21,22)19-12-17(20)24-11-10-23-16-5-3-2-4-15(16)18/h2-9,19H,10-12H2,1H3
InChIKeyODUGAHVXMMLNFU-UHFFFAOYSA-N
XLogP2.03
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-fluorophenoxy)ethyl 2-[(4-methylphenyl)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 2-(2-fluorophenoxy)ethyl 2-[(4-methylphenyl)sulfonylamino]acetate?
The IUPAC name of 2-(2-fluorophenoxy)ethyl 2-[(4-methylphenyl)sulfonylamino]acetate (CID 2528367) is 2-(2-fluorophenoxy)ethyl 2-[(4-methylphenyl)sulfonylamino]acetate.
What is the SMILES notation for 2-(2-fluorophenoxy)ethyl 2-[(4-methylphenyl)sulfonylamino]acetate?
The canonical SMILES for 2-(2-fluorophenoxy)ethyl 2-[(4-methylphenyl)sulfonylamino]acetate is Cc1ccc(S(=O)(=O)NCC(=O)OCCOc2ccccc2F)cc1.
What is the InChIKey of 2-(2-fluorophenoxy)ethyl 2-[(4-methylphenyl)sulfonylamino]acetate?
The InChIKey is ODUGAHVXMMLNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO5S/c1-13-6-8-14(9-7-13)25(21,22)19-12-17(20)24-11-10-23-16-5-3-2-4-15(16)18/h2-9,19H,10-12H2,1H3.
What are the key properties of 2-(2-fluorophenoxy)ethyl 2-[(4-methylphenyl)sulfonylamino]acetate?
2-(2-fluorophenoxy)ethyl 2-[(4-methylphenyl)sulfonylamino]acetate has a molecular weight of 367.40 g/mol, XLogP of 2.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)ethyl 2-[(4-methylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 2528367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).