N-benzyl-2,4-dichloro-5-(dimethylsulfamoyl)benzamide

C16H16Cl2N2O3S — CID 2171497

IUPACN-benzyl-2,4-dichloro-5-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(Cl)cc1Cl
InChIInChI=1S/C16H16Cl2N2O3S/c1-20(2)24(22,23)15-8-12(13(17)9-14(15)18)16(21)19-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyDKXIXACATNZFFZ-UHFFFAOYSA-N
MW387.29 g/mol
LogP3.17
Rot. Bonds5

About N-benzyl-2,4-dichloro-5-(dimethylsulfamoyl)benzamide

N-benzyl-2,4-dichloro-5-(dimethylsulfamoyl)benzamide (PubChem CID 2171497) has the molecular formula C16H16Cl2N2O3S and a molecular weight of 387.29 g/mol. Its IUPAC name is N-benzyl-2,4-dichloro-5-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-benzyl-2,4-dichloro-5-(dimethylsulfamoyl)benzamide
PubChem CID2171497
Molecular FormulaC16H16Cl2N2O3S
Molecular Weight387.29 g/mol
Exact Mass386.03
IUPAC NameN-benzyl-2,4-dichloro-5-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(Cl)cc1Cl
InChIInChI=1S/C16H16Cl2N2O3S/c1-20(2)24(22,23)15-8-12(13(17)9-14(15)18)16(21)19-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyDKXIXACATNZFFZ-UHFFFAOYSA-N
XLogP3.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.29
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,4-dichloro-5-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-benzyl-2,4-dichloro-5-(dimethylsulfamoyl)benzamide (CID 2171497) is N-benzyl-2,4-dichloro-5-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-benzyl-2,4-dichloro-5-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-benzyl-2,4-dichloro-5-(dimethylsulfamoyl)benzamide is CN(C)S(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(Cl)cc1Cl.
What is the InChIKey of N-benzyl-2,4-dichloro-5-(dimethylsulfamoyl)benzamide?
The InChIKey is DKXIXACATNZFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O3S/c1-20(2)24(22,23)15-8-12(13(17)9-14(15)18)16(21)19-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H,19,21).
What are the key properties of N-benzyl-2,4-dichloro-5-(dimethylsulfamoyl)benzamide?
N-benzyl-2,4-dichloro-5-(dimethylsulfamoyl)benzamide has a molecular weight of 387.29 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,4-dichloro-5-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 2171497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).