4-[2-oxo-2-(prop-2-enylamino)ethoxy]benzenesulfonyl chloride

C11H12ClNO4S — CID 82915892

IUPAC4-[2-oxo-2-(prop-2-enylamino)ethoxy]benzenesulfonyl chloride
SMILESC=CCNC(=O)COc1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C11H12ClNO4S/c1-2-7-13-11(14)8-17-9-3-5-10(6-4-9)18(12,15)16/h2-6H,1,7-8H2,(H,13,14)
InChIKeyJWGKIXUCNGAICJ-UHFFFAOYSA-N
MW289.74 g/mol
LogP1.30
Rot. Bonds6

About 4-[2-oxo-2-(prop-2-enylamino)ethoxy]benzenesulfonyl chloride

4-[2-oxo-2-(prop-2-enylamino)ethoxy]benzenesulfonyl chloride (PubChem CID 82915892) has the molecular formula C11H12ClNO4S and a molecular weight of 289.74 g/mol. Its IUPAC name is 4-[2-oxo-2-(prop-2-enylamino)ethoxy]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-[2-oxo-2-(prop-2-enylamino)ethoxy]benzenesulfonyl chloride
PubChem CID82915892
Molecular FormulaC11H12ClNO4S
Molecular Weight289.74 g/mol
Exact Mass289.02
IUPAC Name4-[2-oxo-2-(prop-2-enylamino)ethoxy]benzenesulfonyl chloride
SMILESC=CCNC(=O)COc1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C11H12ClNO4S/c1-2-7-13-11(14)8-17-9-3-5-10(6-4-9)18(12,15)16/h2-6H,1,7-8H2,(H,13,14)
InChIKeyJWGKIXUCNGAICJ-UHFFFAOYSA-N
XLogP1.30
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-prop-2-enylacetamide
CID 126213719
2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-prop-2-enylacetamide
CID 17247274
2-[(2-phenoxyacetyl)amino]-N-prop-2-enylacetamide
CID 2094904
2-[4-[(1S)-1-aminoethyl]phenoxy]-N-prop-2-enylacetamide
CID 78932793
N-methyl-2-[4-(prop-2-enylsulfamoyl)phenoxy]acetamide
CID 100814368
2-[4-(1-hydroxypropyl)phenoxy]-N-prop-2-enylacetamide
CID 43504554
2-[4-(2-aminopropyl)phenoxy]-N-prop-2-enylacetamide
CID 54930522
2-[4-[[5-fluoro-2-(4-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]-N-prop-2-enylacetamide
CID 68872226
2-(3-methoxyphenoxy)-N-prop-2-enylacetamide
CID 19204009
2-(3-iodophenoxy)-N-prop-2-enylacetamide
CID 60626724
3,5-dimethyl-2-[2-oxo-2-(prop-2-enylamino)ethoxy]benzenesulfonyl chloride
CID 82921237
2-(3-cyanophenoxy)-N-prop-2-enylacetamide
CID 24699881

Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-2-(prop-2-enylamino)ethoxy]benzenesulfonyl chloride?
The IUPAC name of 4-[2-oxo-2-(prop-2-enylamino)ethoxy]benzenesulfonyl chloride (CID 82915892) is 4-[2-oxo-2-(prop-2-enylamino)ethoxy]benzenesulfonyl chloride.
What is the SMILES notation for 4-[2-oxo-2-(prop-2-enylamino)ethoxy]benzenesulfonyl chloride?
The canonical SMILES for 4-[2-oxo-2-(prop-2-enylamino)ethoxy]benzenesulfonyl chloride is C=CCNC(=O)COc1ccc(S(=O)(=O)Cl)cc1.
What is the InChIKey of 4-[2-oxo-2-(prop-2-enylamino)ethoxy]benzenesulfonyl chloride?
The InChIKey is JWGKIXUCNGAICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO4S/c1-2-7-13-11(14)8-17-9-3-5-10(6-4-9)18(12,15)16/h2-6H,1,7-8H2,(H,13,14).
What are the key properties of 4-[2-oxo-2-(prop-2-enylamino)ethoxy]benzenesulfonyl chloride?
4-[2-oxo-2-(prop-2-enylamino)ethoxy]benzenesulfonyl chloride has a molecular weight of 289.74 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-2-(prop-2-enylamino)ethoxy]benzenesulfonyl chloride is sourced from PubChem (CID 82915892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).