2-(4-chlorophenyl)-N-[2-(2-methoxyethoxy)ethyl]ethenesulfonamide

C13H18ClNO4S — CID 103597906

IUPAC2-(4-chlorophenyl)-N-[2-(2-methoxyethoxy)ethyl]ethenesulfonamide
SMILESCOCCOCCNS(=O)(=O)C=Cc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO4S/c1-18-9-10-19-8-7-15-20(16,17)11-6-12-2-4-13(14)5-3-12/h2-6,11,15H,7-10H2,1H3
InChIKeyCRINUZPXZMQHGN-UHFFFAOYSA-N
MW319.81 g/mol
LogP1.89
Rot. Bonds9

About 2-(4-chlorophenyl)-N-[2-(2-methoxyethoxy)ethyl]ethenesulfonamide

2-(4-chlorophenyl)-N-[2-(2-methoxyethoxy)ethyl]ethenesulfonamide (PubChem CID 103597906) has the molecular formula C13H18ClNO4S and a molecular weight of 319.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-(2-methoxyethoxy)ethyl]ethenesulfonamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-(2-methoxyethoxy)ethyl]ethenesulfonamide
PubChem CID103597906
Molecular FormulaC13H18ClNO4S
Molecular Weight319.81 g/mol
Exact Mass319.06
IUPAC Name2-(4-chlorophenyl)-N-[2-(2-methoxyethoxy)ethyl]ethenesulfonamide
SMILESCOCCOCCNS(=O)(=O)C=Cc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO4S/c1-18-9-10-19-8-7-15-20(16,17)11-6-12-2-4-13(14)5-3-12/h2-6,11,15H,7-10H2,1H3
InChIKeyCRINUZPXZMQHGN-UHFFFAOYSA-N
XLogP1.89
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[3-(2-methoxyethoxy)propyl]-2-phenylethenesulfonamide
CID 47121888
(E)-2-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]ethenesulfonamide
CID 8716803
3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]propanoic acid
CID 43237715
2-(4-chlorophenyl)-N-[2-(propan-2-ylamino)ethyl]ethenesulfonamide
CID 76948208
ethyl 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]acetate
CID 54921365
2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-N-methylacetamide
CID 9302302
3-[4-[2-[2-(4-chlorophenyl)ethenylsulfonylamino]ethyl]phenyl]prop-2-enoic acid
CID 54514129
2-[4-[2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]ethyl]phenyl]acetic acid
CID 12945837
(E)-2-(4-chlorophenyl)-N-[2-(3-chlorophenyl)ethyl]ethenesulfonamide
CID 9301836
(2S)-3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-2-hydroxypropanoic acid
CID 104935897
methyl 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylcarbamoylamino]acetate
CID 22750871
(Z)-2-(4-chlorophenyl)-N-pentan-3-ylethenesulfonamide
CID 99918665

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-(2-methoxyethoxy)ethyl]ethenesulfonamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-(2-methoxyethoxy)ethyl]ethenesulfonamide (CID 103597906) is 2-(4-chlorophenyl)-N-[2-(2-methoxyethoxy)ethyl]ethenesulfonamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-(2-methoxyethoxy)ethyl]ethenesulfonamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-(2-methoxyethoxy)ethyl]ethenesulfonamide is COCCOCCNS(=O)(=O)C=Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-(2-methoxyethoxy)ethyl]ethenesulfonamide?
The InChIKey is CRINUZPXZMQHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO4S/c1-18-9-10-19-8-7-15-20(16,17)11-6-12-2-4-13(14)5-3-12/h2-6,11,15H,7-10H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-N-[2-(2-methoxyethoxy)ethyl]ethenesulfonamide?
2-(4-chlorophenyl)-N-[2-(2-methoxyethoxy)ethyl]ethenesulfonamide has a molecular weight of 319.81 g/mol, XLogP of 1.89, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-(2-methoxyethoxy)ethyl]ethenesulfonamide is sourced from PubChem (CID 103597906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).