2-(4-fluoro-2-sulfamoylphenoxy)-N-prop-2-enylpropanamide

C12H15FN2O4S — CID 82915467

IUPAC2-(4-fluoro-2-sulfamoylphenoxy)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Oc1ccc(F)cc1S(N)(=O)=O
InChIInChI=1S/C12H15FN2O4S/c1-3-6-15-12(16)8(2)19-10-5-4-9(13)7-11(10)20(14,17)18/h3-5,7-8H,1,6H2,2H3,(H,15,16)(H2,14,17,18)
InChIKeyGPSIVOZZIAAQDG-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.54
Rot. Bonds6

About 2-(4-fluoro-2-sulfamoylphenoxy)-N-prop-2-enylpropanamide

2-(4-fluoro-2-sulfamoylphenoxy)-N-prop-2-enylpropanamide (PubChem CID 82915467) has the molecular formula C12H15FN2O4S and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-(4-fluoro-2-sulfamoylphenoxy)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-(4-fluoro-2-sulfamoylphenoxy)-N-prop-2-enylpropanamide
PubChem CID82915467
Molecular FormulaC12H15FN2O4S
Molecular Weight302.33 g/mol
Exact Mass302.07
IUPAC Name2-(4-fluoro-2-sulfamoylphenoxy)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Oc1ccc(F)cc1S(N)(=O)=O
InChIInChI=1S/C12H15FN2O4S/c1-3-6-15-12(16)8(2)19-10-5-4-9(13)7-11(10)20(14,17)18/h3-5,7-8H,1,6H2,2H3,(H,15,16)(H2,14,17,18)
InChIKeyGPSIVOZZIAAQDG-UHFFFAOYSA-N
XLogP0.54
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-dichloro-4-sulfamoylphenoxy)-N-prop-2-enylpropanamide
CID 82911197
2-(2,5-dichloro-4-sulfamoylphenoxy)-N-prop-2-enylpropanamide
CID 82912462
5-chloro-2-[1-oxo-1-(prop-2-enylamino)propan-2-yl]oxybenzenesulfonyl chloride
CID 82921733
2-(2-hydroxyphenoxy)-N-prop-2-enylpropanamide
CID 43143434
2-(5-fluoro-2-nitrophenoxy)-N-prop-2-enylpropanamide
CID 78913287
5-fluoro-2-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxybenzenesulfonyl chloride
CID 82910941
1-[2-(2,4-difluorophenoxy)propanoylamino]-3-prop-2-enylthiourea
CID 17373407
2-(2-fluoro-5-methylphenoxy)-N-prop-2-enylpropanamide
CID 64853364
[1-oxo-1-(prop-2-enylamino)propan-2-yl] 2-bromo-4-fluorobenzoate
CID 18092138
2-[4-(2-aminoethyl)-2-bromophenoxy]-N-prop-2-enylpropanamide
CID 63051492
2-[[(2S)-2-(2-bromo-4-fluorophenoxy)propanoyl]amino]-N-prop-2-enylbenzamide
CID 38932839
N-(3-aminobutyl)-2-(2-bromo-4-fluorophenoxy)propanamide
CID 119496943

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-sulfamoylphenoxy)-N-prop-2-enylpropanamide?
The IUPAC name of 2-(4-fluoro-2-sulfamoylphenoxy)-N-prop-2-enylpropanamide (CID 82915467) is 2-(4-fluoro-2-sulfamoylphenoxy)-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-(4-fluoro-2-sulfamoylphenoxy)-N-prop-2-enylpropanamide?
The canonical SMILES for 2-(4-fluoro-2-sulfamoylphenoxy)-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)Oc1ccc(F)cc1S(N)(=O)=O.
What is the InChIKey of 2-(4-fluoro-2-sulfamoylphenoxy)-N-prop-2-enylpropanamide?
The InChIKey is GPSIVOZZIAAQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O4S/c1-3-6-15-12(16)8(2)19-10-5-4-9(13)7-11(10)20(14,17)18/h3-5,7-8H,1,6H2,2H3,(H,15,16)(H2,14,17,18).
What are the key properties of 2-(4-fluoro-2-sulfamoylphenoxy)-N-prop-2-enylpropanamide?
2-(4-fluoro-2-sulfamoylphenoxy)-N-prop-2-enylpropanamide has a molecular weight of 302.33 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-sulfamoylphenoxy)-N-prop-2-enylpropanamide is sourced from PubChem (CID 82915467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).