2-chloroprop-2-enyl 2-[(4-cyanophenyl)sulfonylamino]acetate

C12H11ClN2O4S — CID 46543973

IUPAC2-chloroprop-2-enyl 2-[(4-cyanophenyl)sulfonylamino]acetate
SMILESC=C(Cl)COC(=O)CNS(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C12H11ClN2O4S/c1-9(13)8-19-12(16)7-15-20(17,18)11-4-2-10(6-14)3-5-11/h2-5,15H,1,7-8H2
InChIKeyLFWJBECHHKKVKO-UHFFFAOYSA-N
MW314.75 g/mol
LogP1.13
Rot. Bonds6

About 2-chloroprop-2-enyl 2-[(4-cyanophenyl)sulfonylamino]acetate

2-chloroprop-2-enyl 2-[(4-cyanophenyl)sulfonylamino]acetate (PubChem CID 46543973) has the molecular formula C12H11ClN2O4S and a molecular weight of 314.75 g/mol. Its IUPAC name is 2-chloroprop-2-enyl 2-[(4-cyanophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name2-chloroprop-2-enyl 2-[(4-cyanophenyl)sulfonylamino]acetate
PubChem CID46543973
Molecular FormulaC12H11ClN2O4S
Molecular Weight314.75 g/mol
Exact Mass314.01
IUPAC Name2-chloroprop-2-enyl 2-[(4-cyanophenyl)sulfonylamino]acetate
SMILESC=C(Cl)COC(=O)CNS(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C12H11ClN2O4S/c1-9(13)8-19-12(16)7-15-20(17,18)11-4-2-10(6-14)3-5-11/h2-5,15H,1,7-8H2
InChIKeyLFWJBECHHKKVKO-UHFFFAOYSA-N
XLogP1.13
TPSA96.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.75
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-cyanophenyl)sulfonylamino]acetamide
CID 4844985
2-(4-methylphenoxy)ethyl 2-[(4-cyanophenyl)sulfonylamino]acetate
CID 7679281
[4-(trifluoromethyl)phenyl]methyl 2-[(4-cyanophenyl)sulfonylamino]acetate
CID 39605970
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[(4-cyanophenyl)sulfonylamino]acetate
CID 8565613
ethyl 4-[[2-[(4-cyanophenyl)methoxy]-2-oxoethyl]sulfamoyl]benzoate
CID 7725584
4-cyano-N-(3-methyl-2-oxobutyl)benzenesulfonamide
CID 64996357
(4-cyanophenyl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate
CID 7906463
(3-fluoro-4-methoxyphenyl)methyl 2-[(4-cyanophenyl)sulfonylamino]acetate
CID 7679394
(4-cyanophenyl)methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate
CID 8664523
(4-pyrazol-1-ylphenyl)methyl 2-[(4-cyanophenyl)sulfonylamino]acetate
CID 39605961
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-[(4-cyanophenyl)sulfonylamino]acetate
CID 7679422
6-[(4-cyanophenyl)sulfonylamino]hexanoic acid
CID 28530885

Frequently Asked Questions

What is the IUPAC name of 2-chloroprop-2-enyl 2-[(4-cyanophenyl)sulfonylamino]acetate?
The IUPAC name of 2-chloroprop-2-enyl 2-[(4-cyanophenyl)sulfonylamino]acetate (CID 46543973) is 2-chloroprop-2-enyl 2-[(4-cyanophenyl)sulfonylamino]acetate.
What is the SMILES notation for 2-chloroprop-2-enyl 2-[(4-cyanophenyl)sulfonylamino]acetate?
The canonical SMILES for 2-chloroprop-2-enyl 2-[(4-cyanophenyl)sulfonylamino]acetate is C=C(Cl)COC(=O)CNS(=O)(=O)c1ccc(C#N)cc1.
What is the InChIKey of 2-chloroprop-2-enyl 2-[(4-cyanophenyl)sulfonylamino]acetate?
The InChIKey is LFWJBECHHKKVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O4S/c1-9(13)8-19-12(16)7-15-20(17,18)11-4-2-10(6-14)3-5-11/h2-5,15H,1,7-8H2.
What are the key properties of 2-chloroprop-2-enyl 2-[(4-cyanophenyl)sulfonylamino]acetate?
2-chloroprop-2-enyl 2-[(4-cyanophenyl)sulfonylamino]acetate has a molecular weight of 314.75 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroprop-2-enyl 2-[(4-cyanophenyl)sulfonylamino]acetate is sourced from PubChem (CID 46543973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).