ethyl 3-[(4-fluorophenyl)sulfonylamino]propanoate

C11H14FNO4S — CID 3823010

IUPACethyl 3-[(4-fluorophenyl)sulfonylamino]propanoate
SMILESCCOC(=O)CCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H14FNO4S/c1-2-17-11(14)7-8-13-18(15,16)10-5-3-9(12)4-6-10/h3-6,13H,2,7-8H2,1H3
InChIKeyMQCMHWHQIIEPGE-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.06
Rot. Bonds6

About ethyl 3-[(4-fluorophenyl)sulfonylamino]propanoate

ethyl 3-[(4-fluorophenyl)sulfonylamino]propanoate (PubChem CID 3823010) has the molecular formula C11H14FNO4S and a molecular weight of 275.30 g/mol. Its IUPAC name is ethyl 3-[(4-fluorophenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(4-fluorophenyl)sulfonylamino]propanoate
PubChem CID3823010
Molecular FormulaC11H14FNO4S
Molecular Weight275.30 g/mol
Exact Mass275.06
IUPAC Nameethyl 3-[(4-fluorophenyl)sulfonylamino]propanoate
SMILESCCOC(=O)CCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H14FNO4S/c1-2-17-11(14)7-8-13-18(15,16)10-5-3-9(12)4-6-10/h3-6,13H,2,7-8H2,1H3
InChIKeyMQCMHWHQIIEPGE-UHFFFAOYSA-N
XLogP1.06
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[[4-(aminomethyl)phenyl]sulfonylamino]propanoate
CID 69157083
ethyl 3-[[4-(cyanomethyl)phenyl]sulfonylamino]propanoate
CID 79196212
ethyl 3-[(6-chloro-3-pyridinyl)sulfonylamino]propanoate
CID 60730690
ethyl 3-[(3-methylphenyl)sulfonylamino]propanoate
CID 60643076
ethyl 4-[(4-carbamothioylphenyl)sulfonylamino]butanoate
CID 64576394
ethyl N-(4-fluorophenyl)sulfonylcarbamate
CID 19693765
N-(3-ethoxypropyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 17192241
2-(4-methylphenoxy)ethyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 35792619
4-fluoro-N-(4-hydrazinyl-4-oxobutyl)benzenesulfonamide
CID 135347429
propyl 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 43020880
ethyl 4-[(4-butoxyphenyl)sulfonylamino]butanoate
CID 3867578
2-[(4-fluorophenyl)sulfonylamino]ethylurea
CID 78994332

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(4-fluorophenyl)sulfonylamino]propanoate?
The IUPAC name of ethyl 3-[(4-fluorophenyl)sulfonylamino]propanoate (CID 3823010) is ethyl 3-[(4-fluorophenyl)sulfonylamino]propanoate.
What is the SMILES notation for ethyl 3-[(4-fluorophenyl)sulfonylamino]propanoate?
The canonical SMILES for ethyl 3-[(4-fluorophenyl)sulfonylamino]propanoate is CCOC(=O)CCNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of ethyl 3-[(4-fluorophenyl)sulfonylamino]propanoate?
The InChIKey is MQCMHWHQIIEPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO4S/c1-2-17-11(14)7-8-13-18(15,16)10-5-3-9(12)4-6-10/h3-6,13H,2,7-8H2,1H3.
What are the key properties of ethyl 3-[(4-fluorophenyl)sulfonylamino]propanoate?
ethyl 3-[(4-fluorophenyl)sulfonylamino]propanoate has a molecular weight of 275.30 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(4-fluorophenyl)sulfonylamino]propanoate is sourced from PubChem (CID 3823010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).