N-(3-chloro-2-methylphenyl)-3-(propylsulfonylamino)benzamide

C17H19ClN2O3S — CID 36709710

IUPACN-(3-chloro-2-methylphenyl)-3-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)Nc2cccc(Cl)c2C)c1
InChIInChI=1S/C17H19ClN2O3S/c1-3-10-24(22,23)20-14-7-4-6-13(11-14)17(21)19-16-9-5-8-15(18)12(16)2/h4-9,11,20H,3,10H2,1-2H3,(H,19,21)
InChIKeyNZJRYFCJVKLSLB-UHFFFAOYSA-N
MW366.87 g/mol
LogP4.05
Rot. Bonds6

About N-(3-chloro-2-methylphenyl)-3-(propylsulfonylamino)benzamide

N-(3-chloro-2-methylphenyl)-3-(propylsulfonylamino)benzamide (PubChem CID 36709710) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-3-(propylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-3-(propylsulfonylamino)benzamide
PubChem CID36709710
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC NameN-(3-chloro-2-methylphenyl)-3-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)Nc2cccc(Cl)c2C)c1
InChIInChI=1S/C17H19ClN2O3S/c1-3-10-24(22,23)20-14-7-4-6-13(11-14)17(21)19-16-9-5-8-15(18)12(16)2/h4-9,11,20H,3,10H2,1-2H3,(H,19,21)
InChIKeyNZJRYFCJVKLSLB-UHFFFAOYSA-N
XLogP4.05
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-chloro-2-methylphenyl)-3-(propylsulfonylamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chlorophenyl)-3-(ethylsulfonylamino)benzamide
CID 36705442
N-(4-chloro-2-fluorophenyl)-3-(propylsulfonylamino)benzamide
CID 36766369
N-(3-chloro-2-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 9413988
4-chloro-N-(3-chloro-2-methylphenyl)-3-(phenylsulfamoyl)benzamide
CID 3288901
N-(2-ethylphenyl)-3-(ethylsulfonylamino)benzamide
CID 36859745
N-(3-chloro-4-methylphenyl)-3-(ethylsulfonylamino)benzamide
CID 36805136
N-(3-chloro-2-methylphenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126414925
N-(3-chloro-2-methylphenyl)-2-propylsulfonylacetamide
CID 47207514
2-chloro-N-cyclohexyl-5-[[3-(propylsulfonylamino)benzoyl]amino]benzamide
CID 55978369
N-(3-chloro-2-methylphenyl)-4-[ethylsulfonyl(methyl)amino]benzamide
CID 21173367
3-carbamothioyl-N-(3-chloro-2-methylphenyl)benzamide
CID 29302193
N-(2,5-dihydroxyphenyl)-3-(hexadecylsulfonylamino)benzamide
CID 19763169

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-3-(propylsulfonylamino)benzamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-3-(propylsulfonylamino)benzamide (CID 36709710) is N-(3-chloro-2-methylphenyl)-3-(propylsulfonylamino)benzamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-3-(propylsulfonylamino)benzamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-3-(propylsulfonylamino)benzamide is CCCS(=O)(=O)Nc1cccc(C(=O)Nc2cccc(Cl)c2C)c1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-3-(propylsulfonylamino)benzamide?
The InChIKey is NZJRYFCJVKLSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-3-10-24(22,23)20-14-7-4-6-13(11-14)17(21)19-16-9-5-8-15(18)12(16)2/h4-9,11,20H,3,10H2,1-2H3,(H,19,21).
What are the key properties of N-(3-chloro-2-methylphenyl)-3-(propylsulfonylamino)benzamide?
N-(3-chloro-2-methylphenyl)-3-(propylsulfonylamino)benzamide has a molecular weight of 366.87 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-3-(propylsulfonylamino)benzamide is sourced from PubChem (CID 36709710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).