2-(2-amino-4-chlorophenyl)sulfonyl-N,N-diethylpropanamide

C13H19ClN2O3S — CID 81175485

IUPAC2-(2-amino-4-chlorophenyl)sulfonyl-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)S(=O)(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C13H19ClN2O3S/c1-4-16(5-2)13(17)9(3)20(18,19)12-7-6-10(14)8-11(12)15/h6-9H,4-5,15H2,1-3H3
InChIKeyIWSLNMZCEZVYKU-UHFFFAOYSA-N
MW318.83 g/mol
LogP1.95
Rot. Bonds5

About 2-(2-amino-4-chlorophenyl)sulfonyl-N,N-diethylpropanamide

2-(2-amino-4-chlorophenyl)sulfonyl-N,N-diethylpropanamide (PubChem CID 81175485) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is 2-(2-amino-4-chlorophenyl)sulfonyl-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-(2-amino-4-chlorophenyl)sulfonyl-N,N-diethylpropanamide
PubChem CID81175485
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC Name2-(2-amino-4-chlorophenyl)sulfonyl-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)S(=O)(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C13H19ClN2O3S/c1-4-16(5-2)13(17)9(3)20(18,19)12-7-6-10(14)8-11(12)15/h6-9H,4-5,15H2,1-3H3
InChIKeyIWSLNMZCEZVYKU-UHFFFAOYSA-N
XLogP1.95
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-chlorophenyl)sulfonyl-N,N-diethylpropanamide?
The IUPAC name of 2-(2-amino-4-chlorophenyl)sulfonyl-N,N-diethylpropanamide (CID 81175485) is 2-(2-amino-4-chlorophenyl)sulfonyl-N,N-diethylpropanamide.
What is the SMILES notation for 2-(2-amino-4-chlorophenyl)sulfonyl-N,N-diethylpropanamide?
The canonical SMILES for 2-(2-amino-4-chlorophenyl)sulfonyl-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)S(=O)(=O)c1ccc(Cl)cc1N.
What is the InChIKey of 2-(2-amino-4-chlorophenyl)sulfonyl-N,N-diethylpropanamide?
The InChIKey is IWSLNMZCEZVYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-4-16(5-2)13(17)9(3)20(18,19)12-7-6-10(14)8-11(12)15/h6-9H,4-5,15H2,1-3H3.
What are the key properties of 2-(2-amino-4-chlorophenyl)sulfonyl-N,N-diethylpropanamide?
2-(2-amino-4-chlorophenyl)sulfonyl-N,N-diethylpropanamide has a molecular weight of 318.83 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-chlorophenyl)sulfonyl-N,N-diethylpropanamide is sourced from PubChem (CID 81175485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).