2-(4-chlorophenyl)sulfonyl-N,N-diethylacetamide

C12H16ClNO3S — CID 51072356

IUPAC2-(4-chlorophenyl)sulfonyl-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO3S/c1-3-14(4-2)12(15)9-18(16,17)11-7-5-10(13)6-8-11/h5-8H,3-4,9H2,1-2H3
InChIKeyGDHPUZRBLHKGMY-UHFFFAOYSA-N
MW289.78 g/mol
LogP1.98
Rot. Bonds5

About 2-(4-chlorophenyl)sulfonyl-N,N-diethylacetamide

2-(4-chlorophenyl)sulfonyl-N,N-diethylacetamide (PubChem CID 51072356) has the molecular formula C12H16ClNO3S and a molecular weight of 289.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-N,N-diethylacetamide
PubChem CID51072356
Molecular FormulaC12H16ClNO3S
Molecular Weight289.78 g/mol
Exact Mass289.05
IUPAC Name2-(4-chlorophenyl)sulfonyl-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO3S/c1-3-14(4-2)12(15)9-18(16,17)11-7-5-10(13)6-8-11/h5-8H,3-4,9H2,1-2H3
InChIKeyGDHPUZRBLHKGMY-UHFFFAOYSA-N
XLogP1.98
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.78
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-N,N-diethylacetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-N,N-diethylacetamide (CID 51072356) is 2-(4-chlorophenyl)sulfonyl-N,N-diethylacetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-N,N-diethylacetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-N,N-diethylacetamide is CCN(CC)C(=O)CS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-N,N-diethylacetamide?
The InChIKey is GDHPUZRBLHKGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3S/c1-3-14(4-2)12(15)9-18(16,17)11-7-5-10(13)6-8-11/h5-8H,3-4,9H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)sulfonyl-N,N-diethylacetamide?
2-(4-chlorophenyl)sulfonyl-N,N-diethylacetamide has a molecular weight of 289.78 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-N,N-diethylacetamide is sourced from PubChem (CID 51072356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).