Ethyl 2-[ethyl-[(4-fluorophenyl)methylsulfonyl]amino]acetate

Name: Ethyl 2-[ethyl-[(4-fluorophenyl)methylsulfonyl]amino]acetate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₃H₁₈FNO₄S — CID 61012542

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACethyl 2-[ethyl-[(4-fluorophenyl)methylsulfonyl]amino]acetate

SMILESCCOC(=O)CN(CC)S(=O)(=O)Cc1ccc(F)cc1

InChIInChI=1S/C13H18FNO4S/c1-3-15(9-13(16)19-4-2)20(17,18)10-11-5-7-12(14)8-6-11/h5-8H,3-4,9-10H2,1-2H3

InChIKeyJLSWEJDWHOSDTR-UHFFFAOYSA-N

MW303.36 g/mol

LogP1.54

Rot. Bonds7

About Ethyl 2-[ethyl-[(4-fluorophenyl)methylsulfonyl]amino]acetate

Ethyl 2-[ethyl-[(4-fluorophenyl)methylsulfonyl]amino]acetate (PubChem CID 61012542) has the molecular formula C₁₃H₁₈FNO₄S and a molecular weight of 303.36 g/mol. Its IUPAC name is ethyl 2-[ethyl-[(4-fluorophenyl)methylsulfonyl]amino]acetate.

Molecular Properties

Compound Name	Ethyl 2-[ethyl-[(4-fluorophenyl)methylsulfonyl]amino]acetate
PubChem CID	61012542
Molecular Formula	C₁₃H₁₈FNO₄S
Molecular Weight	303.36 g/mol
Exact Mass	303.09
IUPAC Name	ethyl 2-[ethyl-[(4-fluorophenyl)methylsulfonyl]amino]acetate
SMILES	CCOC(=O)CN(CC)S(=O)(=O)Cc1ccc(F)cc1
InChI	InChI=1S/C13H18FNO4S/c1-3-15(9-13(16)19-4-2)20(17,18)10-11-5-7-12(14)8-6-11/h5-8H,3-4,9-10H2,1-2H3
InChIKey	JLSWEJDWHOSDTR-UHFFFAOYSA-N
XLogP	1.54
TPSA	63.68 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	7
Heavy Atoms	20
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	303.36
LogP ≤ 5	1.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Ethyl 2-[ethyl-[(4-fluorophenyl)methylsulfonyl]amino]acetate?

The IUPAC name of Ethyl 2-[ethyl-[(4-fluorophenyl)methylsulfonyl]amino]acetate (CID 61012542) is ethyl 2-[ethyl-[(4-fluorophenyl)methylsulfonyl]amino]acetate.

What is the SMILES notation for Ethyl 2-[ethyl-[(4-fluorophenyl)methylsulfonyl]amino]acetate?

The canonical SMILES for Ethyl 2-[ethyl-[(4-fluorophenyl)methylsulfonyl]amino]acetate is CCOC(=O)CN(CC)S(=O)(=O)Cc1ccc(F)cc1.

What is the InChIKey of Ethyl 2-[ethyl-[(4-fluorophenyl)methylsulfonyl]amino]acetate?

The InChIKey is JLSWEJDWHOSDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO4S/c1-3-15(9-13(16)19-4-2)20(17,18)10-11-5-7-12(14)8-6-11/h5-8H,3-4,9-10H2,1-2H3.

What are the key properties of Ethyl 2-[ethyl-[(4-fluorophenyl)methylsulfonyl]amino]acetate?

Ethyl 2-[ethyl-[(4-fluorophenyl)methylsulfonyl]amino]acetate has a molecular weight of 303.36 g/mol, XLogP of 1.54, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Ethyl 2-[ethyl-[(4-fluorophenyl)methylsulfonyl]amino]acetate is sourced from PubChem (CID 61012542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 61012542 — identifiers, structure, computed properties (public domain)

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