2-(3-chlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide

C16H17ClN2O4S — CID 2632951

IUPAC2-(3-chlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)COc2cccc(Cl)c2)cc1
InChIInChI=1S/C16H17ClN2O4S/c1-19(2)24(21,22)15-8-6-13(7-9-15)18-16(20)11-23-14-5-3-4-12(17)10-14/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyZJIFIVKJAMDYRD-UHFFFAOYSA-N
MW368.84 g/mol
LogP2.61
Rot. Bonds6

About 2-(3-chlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide

2-(3-chlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide (PubChem CID 2632951) has the molecular formula C16H17ClN2O4S and a molecular weight of 368.84 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
PubChem CID2632951
Molecular FormulaC16H17ClN2O4S
Molecular Weight368.84 g/mol
Exact Mass368.06
IUPAC Name2-(3-chlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)COc2cccc(Cl)c2)cc1
InChIInChI=1S/C16H17ClN2O4S/c1-19(2)24(21,22)15-8-6-13(7-9-15)18-16(20)11-23-14-5-3-4-12(17)10-14/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyZJIFIVKJAMDYRD-UHFFFAOYSA-N
XLogP2.61
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.84
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide (CID 2632951) is 2-(3-chlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide is CN(C)S(=O)(=O)c1ccc(NC(=O)COc2cccc(Cl)c2)cc1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide?
The InChIKey is ZJIFIVKJAMDYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O4S/c1-19(2)24(21,22)15-8-6-13(7-9-15)18-16(20)11-23-14-5-3-4-12(17)10-14/h3-10H,11H2,1-2H3,(H,18,20).
What are the key properties of 2-(3-chlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide?
2-(3-chlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide has a molecular weight of 368.84 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 2632951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).