N-[(4-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-N-methylbenzamide

C17H19ClN2O3S — CID 26731707

IUPACN-[(4-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-N-methylbenzamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)c1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C17H19ClN2O3S/c1-19(2)24(22,23)16-6-4-5-14(11-16)17(21)20(3)12-13-7-9-15(18)10-8-13/h4-11H,12H2,1-3H3
InChIKeyUNTYJARIWUIIQE-UHFFFAOYSA-N
MW366.87 g/mol
LogP2.86
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-N-methylbenzamide

N-[(4-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-N-methylbenzamide (PubChem CID 26731707) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-N-methylbenzamide
PubChem CID26731707
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC NameN-[(4-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-N-methylbenzamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)c1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C17H19ClN2O3S/c1-19(2)24(22,23)16-6-4-5-14(11-16)17(21)20(3)12-13-7-9-15(18)10-8-13/h4-11H,12H2,1-3H3
InChIKeyUNTYJARIWUIIQE-UHFFFAOYSA-N
XLogP2.86
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-(dimethylamino)-N-methylbenzamide
CID 78768490
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-3-[methyl(phenyl)sulfamoyl]benzamide
CID 26665113
3-(dimethylsulfamoyl)-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 4824191
N-[2-(dimethylamino)-2-oxoethyl]-3-(dimethylsulfamoyl)-N-methylbenzamide
CID 9226973
N-methyl-3-[methyl(propan-2-yl)sulfamoyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 26619521
N-[(4-methoxyphenyl)methyl]-N-methyl-3-methylsulfonylbenzamide
CID 39972148
N-[(4-chlorophenyl)methyl]-3-(diethylsulfamoyl)-N,4-dimethylbenzamide
CID 27773808
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 26722152
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(dimethylsulfamoyl)-N-methylbenzamide
CID 9468496
N-[(4-chlorophenyl)methyl]-N-methyl-4-(methylsulfonylmethyl)benzamide
CID 31987355
4-bromo-N-[(3-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-N-methylbenzamide
CID 26893018
N-benzyl-3-[[2-(4-chlorophenyl)acetyl]amino]-N-methylbenzamide
CID 26162876

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-N-methylbenzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-N-methylbenzamide (CID 26731707) is N-[(4-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-N-methylbenzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-N-methylbenzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-N-methylbenzamide is CN(Cc1ccc(Cl)cc1)C(=O)c1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-N-methylbenzamide?
The InChIKey is UNTYJARIWUIIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-19(2)24(22,23)16-6-4-5-14(11-16)17(21)20(3)12-13-7-9-15(18)10-8-13/h4-11H,12H2,1-3H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-N-methylbenzamide?
N-[(4-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-N-methylbenzamide has a molecular weight of 366.87 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-N-methylbenzamide is sourced from PubChem (CID 26731707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).