4-chloro-3-(dimethylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

C17H16ClF3N2O3S — CID 27052704

IUPAC4-chloro-3-(dimethylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)NCc2ccc(C(F)(F)F)cc2)ccc1Cl
InChIInChI=1S/C17H16ClF3N2O3S/c1-23(2)27(25,26)15-9-12(5-8-14(15)18)16(24)22-10-11-3-6-13(7-4-11)17(19,20)21/h3-9H,10H2,1-2H3,(H,22,24)
InChIKeyJDMRWWGLIZHFOD-UHFFFAOYSA-N
MW420.84 g/mol
LogP3.54
Rot. Bonds5

About 4-chloro-3-(dimethylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

4-chloro-3-(dimethylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 27052704) has the molecular formula C17H16ClF3N2O3S and a molecular weight of 420.84 g/mol. Its IUPAC name is 4-chloro-3-(dimethylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-(dimethylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID27052704
Molecular FormulaC17H16ClF3N2O3S
Molecular Weight420.84 g/mol
Exact Mass420.05
IUPAC Name4-chloro-3-(dimethylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)NCc2ccc(C(F)(F)F)cc2)ccc1Cl
InChIInChI=1S/C17H16ClF3N2O3S/c1-23(2)27(25,26)15-9-12(5-8-14(15)18)16(24)22-10-11-3-6-13(7-4-11)17(19,20)21/h3-9H,10H2,1-2H3,(H,22,24)
InChIKeyJDMRWWGLIZHFOD-UHFFFAOYSA-N
XLogP3.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.84
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-(dimethylsulfamoyl)-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]benzamide
CID 55611853
4-chloro-3-(dimethylsulfamoyl)-N-[(4-fluoro-3-methylphenyl)methyl]benzamide
CID 33305283
4-chloro-3-(diethylsulfamoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 24584146
N-[(4-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 8713091
N-butyl-4-chloro-3-(dimethylsulfamoyl)benzamide
CID 35709594
4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 134045733
4-(dimethylamino)-3-(dimethylsulfamoyl)-N-[(4-methylphenyl)methyl]benzamide
CID 46349145
N-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethyl)benzamide
CID 71822293
4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 55798173
4-chloro-3-(dimethylsulfamoyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide
CID 55685378
4-chloro-3-(dimethylsulfamoyl)-N-propan-2-ylbenzamide
CID 34234138
4-chloro-N-[(2,3-dimethoxyphenyl)methyl]-3-(dimethylsulfamoyl)benzamide
CID 55595810

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(dimethylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-chloro-3-(dimethylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (CID 27052704) is 4-chloro-3-(dimethylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-chloro-3-(dimethylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-chloro-3-(dimethylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is CN(C)S(=O)(=O)c1cc(C(=O)NCc2ccc(C(F)(F)F)cc2)ccc1Cl.
What is the InChIKey of 4-chloro-3-(dimethylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is JDMRWWGLIZHFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N2O3S/c1-23(2)27(25,26)15-9-12(5-8-14(15)18)16(24)22-10-11-3-6-13(7-4-11)17(19,20)21/h3-9H,10H2,1-2H3,(H,22,24).
What are the key properties of 4-chloro-3-(dimethylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
4-chloro-3-(dimethylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 420.84 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(dimethylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 27052704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).