3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]propanoic acid

C11H12ClNO4S — CID 43237715

IUPAC3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]propanoic acid
SMILESO=C(O)CCNS(=O)(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO4S/c12-10-3-1-9(2-4-10)6-8-18(16,17)13-7-5-11(14)15/h1-4,6,8,13H,5,7H2,(H,14,15)/b8-6+
InChIKeyLJDNUJJOIWDJGA-SOFGYWHQSA-N
MW289.74 g/mol
LogP1.70
Rot. Bonds6

About 3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]propanoic acid

3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]propanoic acid (PubChem CID 43237715) has the molecular formula C11H12ClNO4S and a molecular weight of 289.74 g/mol. Its IUPAC name is 3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]propanoic acid.

Molecular Properties

Compound Name3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]propanoic acid
PubChem CID43237715
Molecular FormulaC11H12ClNO4S
Molecular Weight289.74 g/mol
Exact Mass289.02
IUPAC Name3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]propanoic acid
SMILESO=C(O)CCNS(=O)(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO4S/c12-10-3-1-9(2-4-10)6-8-18(16,17)13-7-5-11(14)15/h1-4,6,8,13H,5,7H2,(H,14,15)/b8-6+
InChIKeyLJDNUJJOIWDJGA-SOFGYWHQSA-N
XLogP1.70
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]ethyl]phenyl]acetic acid
CID 12945837
3-[4-[2-[2-(4-chlorophenyl)ethenylsulfonylamino]ethyl]phenyl]prop-2-enoic acid
CID 54514129
(2S)-3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-2-hydroxypropanoic acid
CID 104935897
(E)-2-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]ethenesulfonamide
CID 8716803
2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-N-methylacetamide
CID 9302302
2-(4-chlorophenyl)-N-[2-(propan-2-ylamino)ethyl]ethenesulfonamide
CID 76948208
2-(4-chlorophenyl)-N-[2-(2-methoxyethoxy)ethyl]ethenesulfonamide
CID 103597906
ethyl 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]acetate
CID 54921365
2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]butanedioic acid
CID 78907343
(E)-2-(4-chlorophenyl)-N-[2-(3-chlorophenyl)ethyl]ethenesulfonamide
CID 9301836
3-[[3-[(Z)-3-(4-chlorophenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic acid
CID 129407480
(E)-N-(2-aminoethyl)-2-phenylethenesulfonamide
CID 43603519

Frequently Asked Questions

What is the IUPAC name of 3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]propanoic acid?
The IUPAC name of 3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]propanoic acid (CID 43237715) is 3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]propanoic acid.
What is the SMILES notation for 3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]propanoic acid?
The canonical SMILES for 3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]propanoic acid is O=C(O)CCNS(=O)(=O)/C=C/c1ccc(Cl)cc1.
What is the InChIKey of 3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]propanoic acid?
The InChIKey is LJDNUJJOIWDJGA-SOFGYWHQSA-N. The full InChI is InChI=1S/C11H12ClNO4S/c12-10-3-1-9(2-4-10)6-8-18(16,17)13-7-5-11(14)15/h1-4,6,8,13H,5,7H2,(H,14,15)/b8-6+.
What are the key properties of 3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]propanoic acid?
3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]propanoic acid has a molecular weight of 289.74 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]propanoic acid is sourced from PubChem (CID 43237715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).