N-[2-(4-chlorophenyl)ethyl]-4-(dimethylsulfamoyl)benzamide

C17H19ClN2O3S — CID 2468773

IUPACN-[2-(4-chlorophenyl)ethyl]-4-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-20(2)24(22,23)16-9-5-14(6-10-16)17(21)19-12-11-13-3-7-15(18)8-4-13/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyATSKEOMCQRFHDW-UHFFFAOYSA-N
MW366.87 g/mol
LogP2.56
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-4-(dimethylsulfamoyl)benzamide

N-[2-(4-chlorophenyl)ethyl]-4-(dimethylsulfamoyl)benzamide (PubChem CID 2468773) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-4-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-4-(dimethylsulfamoyl)benzamide
PubChem CID2468773
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-4-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-20(2)24(22,23)16-9-5-14(6-10-16)17(21)19-12-11-13-3-7-15(18)8-4-13/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyATSKEOMCQRFHDW-UHFFFAOYSA-N
XLogP2.56
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(dimethylsulfamoyl)benzamide
CID 7927529
N-[2-(4-chlorophenyl)ethyl]-4-(methanesulfonamido)benzamide
CID 42064223
1-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]benzene-1,4-dicarboxamide
CID 109043698
N-[2-(4-chlorophenyl)ethyl]-4-fluorobenzamide
CID 737426
2-[4-(dimethylsulfamoyl)phenyl]-N-(2-phenylethyl)acetamide
CID 110674498
N-[2-(4-fluorophenyl)ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide
CID 9210483
N-[3-(4-chlorophenyl)propyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide
CID 92663766
N-[2-(4-chlorophenyl)ethyl]-4-piperidin-1-ylsulfonylbenzamide
CID 4289503
4-(dimethylsulfamoyl)-N-[(4-ethylphenyl)methyl]benzamide
CID 110779528
methyl 3-[[4-(dimethylsulfamoyl)benzoyl]amino]propanoate
CID 26635200
4-(benzenesulfonamido)-N-[2-(4-chlorophenyl)ethyl]benzamide
CID 24635222
4-(dimethylsulfamoyl)-N-(4-methoxybutyl)benzamide
CID 110417973

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4-(dimethylsulfamoyl)benzamide (CID 2468773) is N-[2-(4-chlorophenyl)ethyl]-4-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-4-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-4-(dimethylsulfamoyl)benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-4-(dimethylsulfamoyl)benzamide?
The InChIKey is ATSKEOMCQRFHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-20(2)24(22,23)16-9-5-14(6-10-16)17(21)19-12-11-13-3-7-15(18)8-4-13/h3-10H,11-12H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-4-(dimethylsulfamoyl)benzamide?
N-[2-(4-chlorophenyl)ethyl]-4-(dimethylsulfamoyl)benzamide has a molecular weight of 366.87 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-4-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 2468773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).