N-[(2-chlorophenyl)methyl]-4-[2-(dimethylamino)ethylsulfamoyl]benzamide

C18H22ClN3O3S — CID 109060135

IUPACN-[(2-chlorophenyl)methyl]-4-[2-(dimethylamino)ethylsulfamoyl]benzamide
SMILESCN(C)CCNS(=O)(=O)c1ccc(C(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C18H22ClN3O3S/c1-22(2)12-11-21-26(24,25)16-9-7-14(8-10-16)18(23)20-13-15-5-3-4-6-17(15)19/h3-10,21H,11-13H2,1-2H3,(H,20,23)
InChIKeyBPSYKFPQCWFHLP-UHFFFAOYSA-N
MW395.91 g/mol
LogP2.11
Rot. Bonds8

About N-[(2-chlorophenyl)methyl]-4-[2-(dimethylamino)ethylsulfamoyl]benzamide

N-[(2-chlorophenyl)methyl]-4-[2-(dimethylamino)ethylsulfamoyl]benzamide (PubChem CID 109060135) has the molecular formula C18H22ClN3O3S and a molecular weight of 395.91 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-[2-(dimethylamino)ethylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-[2-(dimethylamino)ethylsulfamoyl]benzamide
PubChem CID109060135
Molecular FormulaC18H22ClN3O3S
Molecular Weight395.91 g/mol
Exact Mass395.11
IUPAC NameN-[(2-chlorophenyl)methyl]-4-[2-(dimethylamino)ethylsulfamoyl]benzamide
SMILESCN(C)CCNS(=O)(=O)c1ccc(C(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C18H22ClN3O3S/c1-22(2)12-11-21-26(24,25)16-9-7-14(8-10-16)18(23)20-13-15-5-3-4-6-17(15)19/h3-10,21H,11-13H2,1-2H3,(H,20,23)
InChIKeyBPSYKFPQCWFHLP-UHFFFAOYSA-N
XLogP2.11
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.91
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-4-(propylsulfamoyl)benzamide
CID 109057991
N-[(2-chlorophenyl)methyl]-4-(3-methylbutylsulfamoyl)benzamide
CID 109060799
N-[(2-chlorophenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 26692241
4-[2-(dimethylamino)ethylsulfamoyl]-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 109060145
4-[(2-chlorophenyl)sulfamoyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 4793513
N-benzyl-4-[3-(dimethylamino)propylsulfamoyl]benzamide
CID 109060284
N-(3-chloro-2-methylphenyl)-4-[2-(dimethylamino)ethylsulfamoyl]benzamide
CID 109060186
4-[2-(dimethylamino)ethylsulfamoyl]-N-prop-2-enylbenzamide
CID 109058420
3-[2-(dimethylamino)ethylsulfamoyl]-N-[(2-methylphenyl)methyl]benzamide
CID 109063969
4-[2-(dimethylamino)ethylsulfamoyl]-N-pentylbenzamide
CID 109060155
N-[(2-chlorophenyl)methyl]-3-(3-methylbutylsulfamoyl)benzamide
CID 109064737
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(methylsulfamoyl)benzamide
CID 24550322

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-[2-(dimethylamino)ethylsulfamoyl]benzamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-[2-(dimethylamino)ethylsulfamoyl]benzamide (CID 109060135) is N-[(2-chlorophenyl)methyl]-4-[2-(dimethylamino)ethylsulfamoyl]benzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-[2-(dimethylamino)ethylsulfamoyl]benzamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-[2-(dimethylamino)ethylsulfamoyl]benzamide is CN(C)CCNS(=O)(=O)c1ccc(C(=O)NCc2ccccc2Cl)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-[2-(dimethylamino)ethylsulfamoyl]benzamide?
The InChIKey is BPSYKFPQCWFHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3S/c1-22(2)12-11-21-26(24,25)16-9-7-14(8-10-16)18(23)20-13-15-5-3-4-6-17(15)19/h3-10,21H,11-13H2,1-2H3,(H,20,23).
What are the key properties of N-[(2-chlorophenyl)methyl]-4-[2-(dimethylamino)ethylsulfamoyl]benzamide?
N-[(2-chlorophenyl)methyl]-4-[2-(dimethylamino)ethylsulfamoyl]benzamide has a molecular weight of 395.91 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-[2-(dimethylamino)ethylsulfamoyl]benzamide is sourced from PubChem (CID 109060135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).