Ethyl 3-[(2,4-difluorophenyl)sulfonylamino]propanoate

Name: Ethyl 3-[(2,4-difluorophenyl)sulfonylamino]propanoate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₁H₁₃F₂NO₄S — CID 3381474

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

IUPACethyl 3-[(2,4-difluorophenyl)sulfonylamino]propanoate

SMILESCCOC(=O)CCNS(=O)(=O)c1ccc(F)cc1F

InChIInChI=1S/C11H13F2NO4S/c1-2-18-11(15)5-6-14-19(16,17)10-4-3-8(12)7-9(10)13/h3-4,7,14H,2,5-6H2,1H3

InChIKeyPYBSUKCLFPXCON-UHFFFAOYSA-N

MW293.29 g/mol

LogP1.20

Rot. Bonds6

About Ethyl 3-[(2,4-difluorophenyl)sulfonylamino]propanoate

Ethyl 3-[(2,4-difluorophenyl)sulfonylamino]propanoate (PubChem CID 3381474) has the molecular formula C₁₁H₁₃F₂NO₄S and a molecular weight of 293.29 g/mol. Its IUPAC name is ethyl 3-[(2,4-difluorophenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name	Ethyl 3-[(2,4-difluorophenyl)sulfonylamino]propanoate
PubChem CID	3381474
Molecular Formula	C₁₁H₁₃F₂NO₄S
Molecular Weight	293.29 g/mol
Exact Mass	293.05
IUPAC Name	ethyl 3-[(2,4-difluorophenyl)sulfonylamino]propanoate
SMILES	CCOC(=O)CCNS(=O)(=O)c1ccc(F)cc1F
InChI	InChI=1S/C11H13F2NO4S/c1-2-18-11(15)5-6-14-19(16,17)10-4-3-8(12)7-9(10)13/h3-4,7,14H,2,5-6H2,1H3
InChIKey	PYBSUKCLFPXCON-UHFFFAOYSA-N
XLogP	1.20
TPSA	72.47 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	6
Heavy Atoms	19
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	293.29
LogP ≤ 5	1.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Ethyl 3-[(2,4-difluorophenyl)sulfonylamino]propanoate?

The IUPAC name of Ethyl 3-[(2,4-difluorophenyl)sulfonylamino]propanoate (CID 3381474) is ethyl 3-[(2,4-difluorophenyl)sulfonylamino]propanoate.

What is the SMILES notation for Ethyl 3-[(2,4-difluorophenyl)sulfonylamino]propanoate?

The canonical SMILES for Ethyl 3-[(2,4-difluorophenyl)sulfonylamino]propanoate is CCOC(=O)CCNS(=O)(=O)c1ccc(F)cc1F.

What is the InChIKey of Ethyl 3-[(2,4-difluorophenyl)sulfonylamino]propanoate?

The InChIKey is PYBSUKCLFPXCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO4S/c1-2-18-11(15)5-6-14-19(16,17)10-4-3-8(12)7-9(10)13/h3-4,7,14H,2,5-6H2,1H3.

What are the key properties of Ethyl 3-[(2,4-difluorophenyl)sulfonylamino]propanoate?

Ethyl 3-[(2,4-difluorophenyl)sulfonylamino]propanoate has a molecular weight of 293.29 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Ethyl 3-[(2,4-difluorophenyl)sulfonylamino]propanoate is sourced from PubChem (CID 3381474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 3381474 — identifiers, structure, computed properties (public domain)

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