propyl 3-[(4-chlorophenyl)sulfonylamino]propanoate

C12H16ClNO4S — CID 43020880

IUPACpropyl 3-[(4-chlorophenyl)sulfonylamino]propanoate
SMILESCCCOC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO4S/c1-2-9-18-12(15)7-8-14-19(16,17)11-5-3-10(13)4-6-11/h3-6,14H,2,7-9H2,1H3
InChIKeyFDYDYDADJSZKJW-UHFFFAOYSA-N
MW305.78 g/mol
LogP1.96
Rot. Bonds7

About propyl 3-[(4-chlorophenyl)sulfonylamino]propanoate

propyl 3-[(4-chlorophenyl)sulfonylamino]propanoate (PubChem CID 43020880) has the molecular formula C12H16ClNO4S and a molecular weight of 305.78 g/mol. Its IUPAC name is propyl 3-[(4-chlorophenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Namepropyl 3-[(4-chlorophenyl)sulfonylamino]propanoate
PubChem CID43020880
Molecular FormulaC12H16ClNO4S
Molecular Weight305.78 g/mol
Exact Mass305.05
IUPAC Namepropyl 3-[(4-chlorophenyl)sulfonylamino]propanoate
SMILESCCCOC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO4S/c1-2-9-18-12(15)7-8-14-19(16,17)11-5-3-10(13)4-6-11/h3-6,14H,2,7-9H2,1H3
InChIKeyFDYDYDADJSZKJW-UHFFFAOYSA-N
XLogP1.96
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.78
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(diethylamino)-2-oxoethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 7738869
(4-chlorophenyl)methyl 3-[(4-acetylphenyl)sulfonylamino]propanoate
CID 7725647
(4-methylsulfanylphenyl)methyl 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 7738966
(4-chlorophenyl)methyl 3-(benzenesulfonamido)propanoate
CID 7913012
3-[(4-chlorophenyl)sulfonylamino]-N-ethylpropanamide
CID 17225661
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 7738856
[2-(4-chloroanilino)-2-oxoethyl] 3-(benzenesulfonamido)propanoate
CID 8574931
ethyl 3-[(4-fluorophenyl)sulfonylamino]propanoate
CID 3823010
3-[(4-chlorophenyl)sulfonylamino]-N-[4-(propylsulfamoyl)phenyl]propanamide
CID 17225792
[2-(3,4-dichlorophenyl)-2-oxoethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 34780491
3-[(4-chlorophenyl)sulfonylamino]-N-pentan-3-ylpropanamide
CID 17225690
ethyl 3-[[4-(aminomethyl)phenyl]sulfonylamino]propanoate
CID 69157083

Frequently Asked Questions

What is the IUPAC name of propyl 3-[(4-chlorophenyl)sulfonylamino]propanoate?
The IUPAC name of propyl 3-[(4-chlorophenyl)sulfonylamino]propanoate (CID 43020880) is propyl 3-[(4-chlorophenyl)sulfonylamino]propanoate.
What is the SMILES notation for propyl 3-[(4-chlorophenyl)sulfonylamino]propanoate?
The canonical SMILES for propyl 3-[(4-chlorophenyl)sulfonylamino]propanoate is CCCOC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of propyl 3-[(4-chlorophenyl)sulfonylamino]propanoate?
The InChIKey is FDYDYDADJSZKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO4S/c1-2-9-18-12(15)7-8-14-19(16,17)11-5-3-10(13)4-6-11/h3-6,14H,2,7-9H2,1H3.
What are the key properties of propyl 3-[(4-chlorophenyl)sulfonylamino]propanoate?
propyl 3-[(4-chlorophenyl)sulfonylamino]propanoate has a molecular weight of 305.78 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-[(4-chlorophenyl)sulfonylamino]propanoate is sourced from PubChem (CID 43020880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).