4-[(3,4-dichlorophenoxy)methyl]-N-(dimethylsulfamoyl)benzamide

C16H16Cl2N2O4S — CID 72949617

IUPAC4-[(3,4-dichlorophenoxy)methyl]-N-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)NC(=O)c1ccc(COc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H16Cl2N2O4S/c1-20(2)25(22,23)19-16(21)12-5-3-11(4-6-12)10-24-13-7-8-14(17)15(18)9-13/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyRECBEGZCPZYSQH-UHFFFAOYSA-N
MW403.29 g/mol
LogP3.11
Rot. Bonds6

About 4-[(3,4-dichlorophenoxy)methyl]-N-(dimethylsulfamoyl)benzamide

4-[(3,4-dichlorophenoxy)methyl]-N-(dimethylsulfamoyl)benzamide (PubChem CID 72949617) has the molecular formula C16H16Cl2N2O4S and a molecular weight of 403.29 g/mol. Its IUPAC name is 4-[(3,4-dichlorophenoxy)methyl]-N-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-[(3,4-dichlorophenoxy)methyl]-N-(dimethylsulfamoyl)benzamide
PubChem CID72949617
Molecular FormulaC16H16Cl2N2O4S
Molecular Weight403.29 g/mol
Exact Mass402.02
IUPAC Name4-[(3,4-dichlorophenoxy)methyl]-N-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)NC(=O)c1ccc(COc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H16Cl2N2O4S/c1-20(2)25(22,23)19-16(21)12-5-3-11(4-6-12)10-24-13-7-8-14(17)15(18)9-13/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyRECBEGZCPZYSQH-UHFFFAOYSA-N
XLogP3.11
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.29
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dichlorophenoxy)methyl]-N-(dimethylsulfamoyl)benzamide?
The IUPAC name of 4-[(3,4-dichlorophenoxy)methyl]-N-(dimethylsulfamoyl)benzamide (CID 72949617) is 4-[(3,4-dichlorophenoxy)methyl]-N-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for 4-[(3,4-dichlorophenoxy)methyl]-N-(dimethylsulfamoyl)benzamide?
The canonical SMILES for 4-[(3,4-dichlorophenoxy)methyl]-N-(dimethylsulfamoyl)benzamide is CN(C)S(=O)(=O)NC(=O)c1ccc(COc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 4-[(3,4-dichlorophenoxy)methyl]-N-(dimethylsulfamoyl)benzamide?
The InChIKey is RECBEGZCPZYSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O4S/c1-20(2)25(22,23)19-16(21)12-5-3-11(4-6-12)10-24-13-7-8-14(17)15(18)9-13/h3-9H,10H2,1-2H3,(H,19,21).
What are the key properties of 4-[(3,4-dichlorophenoxy)methyl]-N-(dimethylsulfamoyl)benzamide?
4-[(3,4-dichlorophenoxy)methyl]-N-(dimethylsulfamoyl)benzamide has a molecular weight of 403.29 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dichlorophenoxy)methyl]-N-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 72949617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).