2-(2,3-dichloro-4-sulfamoylphenoxy)-N-prop-2-enylpropanamide

C12H14Cl2N2O4S — CID 82911197

IUPAC2-(2,3-dichloro-4-sulfamoylphenoxy)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Oc1ccc(S(N)(=O)=O)c(Cl)c1Cl
InChIInChI=1S/C12H14Cl2N2O4S/c1-3-6-16-12(17)7(2)20-8-4-5-9(21(15,18)19)11(14)10(8)13/h3-5,7H,1,6H2,2H3,(H,16,17)(H2,15,18,19)
InChIKeyWAIVGXYBHGHBPI-UHFFFAOYSA-N
MW353.23 g/mol
LogP1.71
Rot. Bonds6

About 2-(2,3-dichloro-4-sulfamoylphenoxy)-N-prop-2-enylpropanamide

2-(2,3-dichloro-4-sulfamoylphenoxy)-N-prop-2-enylpropanamide (PubChem CID 82911197) has the molecular formula C12H14Cl2N2O4S and a molecular weight of 353.23 g/mol. Its IUPAC name is 2-(2,3-dichloro-4-sulfamoylphenoxy)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-(2,3-dichloro-4-sulfamoylphenoxy)-N-prop-2-enylpropanamide
PubChem CID82911197
Molecular FormulaC12H14Cl2N2O4S
Molecular Weight353.23 g/mol
Exact Mass352.01
IUPAC Name2-(2,3-dichloro-4-sulfamoylphenoxy)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Oc1ccc(S(N)(=O)=O)c(Cl)c1Cl
InChIInChI=1S/C12H14Cl2N2O4S/c1-3-6-16-12(17)7(2)20-8-4-5-9(21(15,18)19)11(14)10(8)13/h3-5,7H,1,6H2,2H3,(H,16,17)(H2,15,18,19)
InChIKeyWAIVGXYBHGHBPI-UHFFFAOYSA-N
XLogP1.71
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.23
LogP ≤ 51.71
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-(2,5-dichloro-4-sulfamoylphenoxy)-N-prop-2-enylpropanamide
CID 82912462
2-(4-fluoro-2-sulfamoylphenoxy)-N-prop-2-enylpropanamide
CID 82915467
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-(3-chloro-2-formylphenoxy)-N-prop-2-enylpropanamide
CID 60791308
2-(4-chloro-2-formylphenoxy)-N-prop-2-enylpropanamide
CID 43324815
2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-prop-2-enylpropanamide
CID 60881074
2-[4-(2-aminoethyl)-2-bromophenoxy]-N-prop-2-enylpropanamide
CID 63051492
3-(2,3-dichloro-4-sulfamoylphenoxy)-2-methylpropanamide
CID 82913410
2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-prop-2-enylpropanamide
CID 43267929
[(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 2-methoxy-5-sulfamoylbenzoate
CID 8985614
2-[4-(aminomethyl)-2-ethoxyphenoxy]-N-prop-2-enylpropanamide
CID 60878105

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichloro-4-sulfamoylphenoxy)-N-prop-2-enylpropanamide?
The IUPAC name of 2-(2,3-dichloro-4-sulfamoylphenoxy)-N-prop-2-enylpropanamide (CID 82911197) is 2-(2,3-dichloro-4-sulfamoylphenoxy)-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-(2,3-dichloro-4-sulfamoylphenoxy)-N-prop-2-enylpropanamide?
The canonical SMILES for 2-(2,3-dichloro-4-sulfamoylphenoxy)-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)Oc1ccc(S(N)(=O)=O)c(Cl)c1Cl.
What is the InChIKey of 2-(2,3-dichloro-4-sulfamoylphenoxy)-N-prop-2-enylpropanamide?
The InChIKey is WAIVGXYBHGHBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O4S/c1-3-6-16-12(17)7(2)20-8-4-5-9(21(15,18)19)11(14)10(8)13/h3-5,7H,1,6H2,2H3,(H,16,17)(H2,15,18,19).
What are the key properties of 2-(2,3-dichloro-4-sulfamoylphenoxy)-N-prop-2-enylpropanamide?
2-(2,3-dichloro-4-sulfamoylphenoxy)-N-prop-2-enylpropanamide has a molecular weight of 353.23 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichloro-4-sulfamoylphenoxy)-N-prop-2-enylpropanamide is sourced from PubChem (CID 82911197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).