N-[(3-chlorophenyl)methyl]-5-(diethylsulfamoyl)-2-methylbenzamide

C19H23ClN2O3S — CID 9165368

IUPACN-[(3-chlorophenyl)methyl]-5-(diethylsulfamoyl)-2-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NCc2cccc(Cl)c2)c1
InChIInChI=1S/C19H23ClN2O3S/c1-4-22(5-2)26(24,25)17-10-9-14(3)18(12-17)19(23)21-13-15-7-6-8-16(20)11-15/h6-12H,4-5,13H2,1-3H3,(H,21,23)
InChIKeyOZRZPJOLBSXPHH-UHFFFAOYSA-N
MW394.92 g/mol
LogP3.61
Rot. Bonds7

About N-[(3-chlorophenyl)methyl]-5-(diethylsulfamoyl)-2-methylbenzamide

N-[(3-chlorophenyl)methyl]-5-(diethylsulfamoyl)-2-methylbenzamide (PubChem CID 9165368) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-5-(diethylsulfamoyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-5-(diethylsulfamoyl)-2-methylbenzamide
PubChem CID9165368
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC NameN-[(3-chlorophenyl)methyl]-5-(diethylsulfamoyl)-2-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NCc2cccc(Cl)c2)c1
InChIInChI=1S/C19H23ClN2O3S/c1-4-22(5-2)26(24,25)17-10-9-14(3)18(12-17)19(23)21-13-15-7-6-8-16(20)11-15/h6-12H,4-5,13H2,1-3H3,(H,21,23)
InChIKeyOZRZPJOLBSXPHH-UHFFFAOYSA-N
XLogP3.61
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-chloro-5-(diethylsulfamoyl)benzamide
CID 1121797
5-(diethylsulfamoyl)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-methylbenzamide
CID 55768958
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2,5-dimethylbenzamide
CID 9474464
N-[(3-chlorophenyl)methyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 51163643
N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 119382998
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-5-(diethylsulfamoyl)-2-methylbenzamide
CID 55737455
2-chloro-5-(diethylsulfamoyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 60552354
5-(diethylsulfamoyl)-N-[(2-ethoxyphenyl)methyl]-2-methylbenzamide
CID 60565590
N-[(3-chlorophenyl)methyl]-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 9401741
2-chloro-5-(diethylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 7732727
5-(diethylsulfamoyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylbenzamide
CID 87043361
5-(diethylsulfamoyl)-2-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 48731409

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-5-(diethylsulfamoyl)-2-methylbenzamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-5-(diethylsulfamoyl)-2-methylbenzamide (CID 9165368) is N-[(3-chlorophenyl)methyl]-5-(diethylsulfamoyl)-2-methylbenzamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-5-(diethylsulfamoyl)-2-methylbenzamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-5-(diethylsulfamoyl)-2-methylbenzamide is CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NCc2cccc(Cl)c2)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-5-(diethylsulfamoyl)-2-methylbenzamide?
The InChIKey is OZRZPJOLBSXPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-4-22(5-2)26(24,25)17-10-9-14(3)18(12-17)19(23)21-13-15-7-6-8-16(20)11-15/h6-12H,4-5,13H2,1-3H3,(H,21,23).
What are the key properties of N-[(3-chlorophenyl)methyl]-5-(diethylsulfamoyl)-2-methylbenzamide?
N-[(3-chlorophenyl)methyl]-5-(diethylsulfamoyl)-2-methylbenzamide has a molecular weight of 394.92 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-5-(diethylsulfamoyl)-2-methylbenzamide is sourced from PubChem (CID 9165368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).