N-(5-acetamido-2-chlorophenyl)-2-propylsulfonylbenzamide

C18H19ClN2O4S — CID 55916096

IUPACN-(5-acetamido-2-chlorophenyl)-2-propylsulfonylbenzamide
SMILESCCCS(=O)(=O)c1ccccc1C(=O)Nc1cc(NC(C)=O)ccc1Cl
InChIInChI=1S/C18H19ClN2O4S/c1-3-10-26(24,25)17-7-5-4-6-14(17)18(23)21-16-11-13(20-12(2)22)8-9-15(16)19/h4-9,11H,3,10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyCZOVGXLBBOHYLO-UHFFFAOYSA-N
MW394.88 g/mol
LogP3.73
Rot. Bonds6

About N-(5-acetamido-2-chlorophenyl)-2-propylsulfonylbenzamide

N-(5-acetamido-2-chlorophenyl)-2-propylsulfonylbenzamide (PubChem CID 55916096) has the molecular formula C18H19ClN2O4S and a molecular weight of 394.88 g/mol. Its IUPAC name is N-(5-acetamido-2-chlorophenyl)-2-propylsulfonylbenzamide.

Molecular Properties

Compound NameN-(5-acetamido-2-chlorophenyl)-2-propylsulfonylbenzamide
PubChem CID55916096
Molecular FormulaC18H19ClN2O4S
Molecular Weight394.88 g/mol
Exact Mass394.08
IUPAC NameN-(5-acetamido-2-chlorophenyl)-2-propylsulfonylbenzamide
SMILESCCCS(=O)(=O)c1ccccc1C(=O)Nc1cc(NC(C)=O)ccc1Cl
InChIInChI=1S/C18H19ClN2O4S/c1-3-10-26(24,25)17-7-5-4-6-14(17)18(23)21-16-11-13(20-12(2)22)8-9-15(16)19/h4-9,11H,3,10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyCZOVGXLBBOHYLO-UHFFFAOYSA-N
XLogP3.73
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-propylsulfonylbenzamide
CID 17224883
4-chloro-N-methyl-N-propan-2-yl-3-[(2-propylsulfonylbenzoyl)amino]benzamide
CID 52845031
2-[(2-propylsulfonylbenzoyl)amino]benzamide
CID 17224890
N-(2-chloro-4,5-dimethoxyphenyl)-2-ethylsulfonylbenzamide
CID 24684132
N-(2,4-difluorophenyl)-2-propylsulfonylbenzamide
CID 17224852
N-[4-(propylsulfamoyl)phenyl]-2-propylsulfonylbenzamide
CID 17225015
2-propylsulfonyl-N-[4-(sulfamoylmethyl)phenyl]benzamide
CID 55678185
dimethyl 2-[(2-propylsulfonylbenzoyl)amino]benzene-1,4-dicarboxylate
CID 17224739
propyl 4-[(2-propylsulfonylbenzoyl)amino]benzoate
CID 17224802
N-[5-(butanoylamino)-2-chlorophenyl]-2-methoxybenzamide
CID 960096
N-(5-acetamido-2-chlorophenyl)-2-amino-2-methylpentanamide;hydrochloride
CID 119707643
N-(5-acetamido-2-chlorophenyl)-4-(benzenesulfonamido)benzamide
CID 55981241

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-chlorophenyl)-2-propylsulfonylbenzamide?
The IUPAC name of N-(5-acetamido-2-chlorophenyl)-2-propylsulfonylbenzamide (CID 55916096) is N-(5-acetamido-2-chlorophenyl)-2-propylsulfonylbenzamide.
What is the SMILES notation for N-(5-acetamido-2-chlorophenyl)-2-propylsulfonylbenzamide?
The canonical SMILES for N-(5-acetamido-2-chlorophenyl)-2-propylsulfonylbenzamide is CCCS(=O)(=O)c1ccccc1C(=O)Nc1cc(NC(C)=O)ccc1Cl.
What is the InChIKey of N-(5-acetamido-2-chlorophenyl)-2-propylsulfonylbenzamide?
The InChIKey is CZOVGXLBBOHYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4S/c1-3-10-26(24,25)17-7-5-4-6-14(17)18(23)21-16-11-13(20-12(2)22)8-9-15(16)19/h4-9,11H,3,10H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-(5-acetamido-2-chlorophenyl)-2-propylsulfonylbenzamide?
N-(5-acetamido-2-chlorophenyl)-2-propylsulfonylbenzamide has a molecular weight of 394.88 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-chlorophenyl)-2-propylsulfonylbenzamide is sourced from PubChem (CID 55916096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).