2-(2,5-dichloro-4-sulfamoylphenoxy)-N-prop-2-enylpropanamide

C12H14Cl2N2O4S — CID 82912462

IUPAC2-(2,5-dichloro-4-sulfamoylphenoxy)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Oc1cc(Cl)c(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C12H14Cl2N2O4S/c1-3-4-16-12(17)7(2)20-10-5-9(14)11(6-8(10)13)21(15,18)19/h3,5-7H,1,4H2,2H3,(H,16,17)(H2,15,18,19)
InChIKeyYSYNTTKWXVKCAS-UHFFFAOYSA-N
MW353.23 g/mol
LogP1.71
Rot. Bonds6

About 2-(2,5-dichloro-4-sulfamoylphenoxy)-N-prop-2-enylpropanamide

2-(2,5-dichloro-4-sulfamoylphenoxy)-N-prop-2-enylpropanamide (PubChem CID 82912462) has the molecular formula C12H14Cl2N2O4S and a molecular weight of 353.23 g/mol. Its IUPAC name is 2-(2,5-dichloro-4-sulfamoylphenoxy)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-(2,5-dichloro-4-sulfamoylphenoxy)-N-prop-2-enylpropanamide
PubChem CID82912462
Molecular FormulaC12H14Cl2N2O4S
Molecular Weight353.23 g/mol
Exact Mass352.01
IUPAC Name2-(2,5-dichloro-4-sulfamoylphenoxy)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Oc1cc(Cl)c(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C12H14Cl2N2O4S/c1-3-4-16-12(17)7(2)20-10-5-9(14)11(6-8(10)13)21(15,18)19/h3,5-7H,1,4H2,2H3,(H,16,17)(H2,15,18,19)
InChIKeyYSYNTTKWXVKCAS-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-(2,3-dichloro-4-sulfamoylphenoxy)-N-prop-2-enylpropanamide
CID 82911197
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-(2,5-dichloro-4-sulfamoylphenoxy)-N,N-dimethylpropanamide
CID 82914905
2-(3-chloro-2-formylphenoxy)-N-prop-2-enylpropanamide
CID 60791308
2-(2-hydroxyphenoxy)-N-prop-2-enylpropanamide
CID 43143434
2-[2-(aminomethyl)-4,6-dichlorophenoxy]-N-prop-2-enylpropanamide
CID 60890212
2-(4-chloro-2-formylphenoxy)-N-prop-2-enylpropanamide
CID 43324815
2-(2-fluoro-5-methylphenoxy)-N-prop-2-enylpropanamide
CID 64853364
2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-prop-2-enylpropanamide
CID 60881074
2-[4-(2-aminoethyl)-2-bromophenoxy]-N-prop-2-enylpropanamide
CID 63051492
(2S)-2-(3,5-dimethylphenoxy)-N-prop-2-enylpropanamide
CID 40742748

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloro-4-sulfamoylphenoxy)-N-prop-2-enylpropanamide?
The IUPAC name of 2-(2,5-dichloro-4-sulfamoylphenoxy)-N-prop-2-enylpropanamide (CID 82912462) is 2-(2,5-dichloro-4-sulfamoylphenoxy)-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-(2,5-dichloro-4-sulfamoylphenoxy)-N-prop-2-enylpropanamide?
The canonical SMILES for 2-(2,5-dichloro-4-sulfamoylphenoxy)-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)Oc1cc(Cl)c(S(N)(=O)=O)cc1Cl.
What is the InChIKey of 2-(2,5-dichloro-4-sulfamoylphenoxy)-N-prop-2-enylpropanamide?
The InChIKey is YSYNTTKWXVKCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O4S/c1-3-4-16-12(17)7(2)20-10-5-9(14)11(6-8(10)13)21(15,18)19/h3,5-7H,1,4H2,2H3,(H,16,17)(H2,15,18,19).
What are the key properties of 2-(2,5-dichloro-4-sulfamoylphenoxy)-N-prop-2-enylpropanamide?
2-(2,5-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-(2,5-dichloro-4-sulfamoylphenoxy)-N-prop-2-enylpropanamide is sourced from PubChem (CID 82912462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).