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

C10H12FNO4S — CID 3113419

IUPACethyl 2-[(4-fluorophenyl)sulfonylamino]acetate
SMILESCCOC(=O)CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H12FNO4S/c1-2-16-10(13)7-12-17(14,15)9-5-3-8(11)4-6-9/h3-6,12H,2,7H2,1H3
InChIKeyWEYANFYCSCQGJJ-UHFFFAOYSA-N
MW261.27 g/mol
LogP0.67
Rot. Bonds5

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

ethyl 2-[(4-fluorophenyl)sulfonylamino]acetate (PubChem CID 3113419) has the molecular formula C10H12FNO4S and a molecular weight of 261.27 g/mol. Its IUPAC name is ethyl 2-[(4-fluorophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-fluorophenyl)sulfonylamino]acetate
PubChem CID3113419
Molecular FormulaC10H12FNO4S
Molecular Weight261.27 g/mol
Exact Mass261.05
IUPAC Nameethyl 2-[(4-fluorophenyl)sulfonylamino]acetate
SMILESCCOC(=O)CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H12FNO4S/c1-2-16-10(13)7-12-17(14,15)9-5-3-8(11)4-6-9/h3-6,12H,2,7H2,1H3
InChIKeyWEYANFYCSCQGJJ-UHFFFAOYSA-N
XLogP0.67
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-fluorophenyl)sulfonylamino]acetate?
The IUPAC name of ethyl 2-[(4-fluorophenyl)sulfonylamino]acetate (CID 3113419) is ethyl 2-[(4-fluorophenyl)sulfonylamino]acetate.
What is the SMILES notation for ethyl 2-[(4-fluorophenyl)sulfonylamino]acetate?
The canonical SMILES for ethyl 2-[(4-fluorophenyl)sulfonylamino]acetate is CCOC(=O)CNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of ethyl 2-[(4-fluorophenyl)sulfonylamino]acetate?
The InChIKey is WEYANFYCSCQGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO4S/c1-2-16-10(13)7-12-17(14,15)9-5-3-8(11)4-6-9/h3-6,12H,2,7H2,1H3.
What are the key properties of ethyl 2-[(4-fluorophenyl)sulfonylamino]acetate?
ethyl 2-[(4-fluorophenyl)sulfonylamino]acetate has a molecular weight of 261.27 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-fluorophenyl)sulfonylamino]acetate is sourced from PubChem (CID 3113419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).