2-(3-acetamidophenoxy)-N-(4-chlorophenyl)sulfonylacetamide

C16H15ClN2O5S — CID 1266501

IUPAC2-(3-acetamidophenoxy)-N-(4-chlorophenyl)sulfonylacetamide
SMILESCC(=O)Nc1cccc(OCC(=O)NS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H15ClN2O5S/c1-11(20)18-13-3-2-4-14(9-13)24-10-16(21)19-25(22,23)15-7-5-12(17)6-8-15/h2-9H,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyPLNFTHXHHLGDFA-UHFFFAOYSA-N
MW382.83 g/mol
LogP2.18
Rot. Bonds6

About 2-(3-acetamidophenoxy)-N-(4-chlorophenyl)sulfonylacetamide

2-(3-acetamidophenoxy)-N-(4-chlorophenyl)sulfonylacetamide (PubChem CID 1266501) has the molecular formula C16H15ClN2O5S and a molecular weight of 382.83 g/mol. Its IUPAC name is 2-(3-acetamidophenoxy)-N-(4-chlorophenyl)sulfonylacetamide.

Molecular Properties

Compound Name2-(3-acetamidophenoxy)-N-(4-chlorophenyl)sulfonylacetamide
PubChem CID1266501
Molecular FormulaC16H15ClN2O5S
Molecular Weight382.83 g/mol
Exact Mass382.04
IUPAC Name2-(3-acetamidophenoxy)-N-(4-chlorophenyl)sulfonylacetamide
SMILESCC(=O)Nc1cccc(OCC(=O)NS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H15ClN2O5S/c1-11(20)18-13-3-2-4-14(9-13)24-10-16(21)19-25(22,23)15-7-5-12(17)6-8-15/h2-9H,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyPLNFTHXHHLGDFA-UHFFFAOYSA-N
XLogP2.18
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.83
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidophenoxy)-N-(4-chlorophenyl)sulfonylacetamide?
The IUPAC name of 2-(3-acetamidophenoxy)-N-(4-chlorophenyl)sulfonylacetamide (CID 1266501) is 2-(3-acetamidophenoxy)-N-(4-chlorophenyl)sulfonylacetamide.
What is the SMILES notation for 2-(3-acetamidophenoxy)-N-(4-chlorophenyl)sulfonylacetamide?
The canonical SMILES for 2-(3-acetamidophenoxy)-N-(4-chlorophenyl)sulfonylacetamide is CC(=O)Nc1cccc(OCC(=O)NS(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(3-acetamidophenoxy)-N-(4-chlorophenyl)sulfonylacetamide?
The InChIKey is PLNFTHXHHLGDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O5S/c1-11(20)18-13-3-2-4-14(9-13)24-10-16(21)19-25(22,23)15-7-5-12(17)6-8-15/h2-9H,10H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 2-(3-acetamidophenoxy)-N-(4-chlorophenyl)sulfonylacetamide?
2-(3-acetamidophenoxy)-N-(4-chlorophenyl)sulfonylacetamide has a molecular weight of 382.83 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidophenoxy)-N-(4-chlorophenyl)sulfonylacetamide is sourced from PubChem (CID 1266501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).