2,4-dichloro-N-[[4-(dimethylsulfamoyl)phenyl]methyl]benzamide

C16H16Cl2N2O3S — CID 14715683

IUPAC2,4-dichloro-N-[[4-(dimethylsulfamoyl)phenyl]methyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(CNC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H16Cl2N2O3S/c1-20(2)24(22,23)13-6-3-11(4-7-13)10-19-16(21)14-8-5-12(17)9-15(14)18/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyREKPOUZATPFNEV-UHFFFAOYSA-N
MW387.29 g/mol
LogP3.17
Rot. Bonds5

About 2,4-dichloro-N-[[4-(dimethylsulfamoyl)phenyl]methyl]benzamide

2,4-dichloro-N-[[4-(dimethylsulfamoyl)phenyl]methyl]benzamide (PubChem CID 14715683) has the molecular formula C16H16Cl2N2O3S and a molecular weight of 387.29 g/mol. Its IUPAC name is 2,4-dichloro-N-[[4-(dimethylsulfamoyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[[4-(dimethylsulfamoyl)phenyl]methyl]benzamide
PubChem CID14715683
Molecular FormulaC16H16Cl2N2O3S
Molecular Weight387.29 g/mol
Exact Mass386.03
IUPAC Name2,4-dichloro-N-[[4-(dimethylsulfamoyl)phenyl]methyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(CNC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H16Cl2N2O3S/c1-20(2)24(22,23)13-6-3-11(4-7-13)10-19-16(21)14-8-5-12(17)9-15(14)18/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyREKPOUZATPFNEV-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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Related Compounds

2,4-dichloro-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide
CID 15137000
2,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 779696
N-[[4-(2-aminoethyl)phenyl]methyl]-2,4-dichlorobenzamide
CID 62502829
2,4-dichloro-N-[(4-nitrophenyl)methyl]benzamide
CID 51289387
N-[[4-(diethylaminomethyl)phenyl]methyl]-5-(dimethylsulfamoyl)-2-fluorobenzamide
CID 8948233
2-chloro-5-(dimethylsulfamoyl)-N-[[4-(4-fluorophenoxy)phenyl]methyl]benzamide
CID 24514466
1-(3,5-dichlorophenyl)-3-[[4-(dimethylsulfamoyl)phenyl]methyl]urea
CID 47038787
N-[2-[[4-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-2,4-difluorobenzamide
CID 55845901
2-chloro-5-(dimethylsulfamoyl)-N-[[4-(2-methylpropoxy)phenyl]methyl]benzamide
CID 55894371
4-(dimethylsulfamoyl)-N-[(4-ethylphenyl)methyl]benzamide
CID 110779528
2,5-dichloro-N-[[4-(dimethylsulfamoyl)phenyl]methyl]benzenesulfonamide
CID 17248785
2,4-dichloro-N-[(3,5-difluorophenyl)methyl]benzamide
CID 37391840

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[[4-(dimethylsulfamoyl)phenyl]methyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[[4-(dimethylsulfamoyl)phenyl]methyl]benzamide (CID 14715683) is 2,4-dichloro-N-[[4-(dimethylsulfamoyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[[4-(dimethylsulfamoyl)phenyl]methyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[[4-(dimethylsulfamoyl)phenyl]methyl]benzamide is CN(C)S(=O)(=O)c1ccc(CNC(=O)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2,4-dichloro-N-[[4-(dimethylsulfamoyl)phenyl]methyl]benzamide?
The InChIKey is REKPOUZATPFNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O3S/c1-20(2)24(22,23)13-6-3-11(4-7-13)10-19-16(21)14-8-5-12(17)9-15(14)18/h3-9H,10H2,1-2H3,(H,19,21).
What are the key properties of 2,4-dichloro-N-[[4-(dimethylsulfamoyl)phenyl]methyl]benzamide?
2,4-dichloro-N-[[4-(dimethylsulfamoyl)phenyl]methyl]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 2,4-dichloro-N-[[4-(dimethylsulfamoyl)phenyl]methyl]benzamide is sourced from PubChem (CID 14715683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).