3-[(3-chlorophenyl)-methylsulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide

C24H22ClN3O4S — CID 16564284

IUPAC3-[(3-chlorophenyl)-methylsulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
SMILESCN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)Nc2cccc(N3CCCC3=O)c2)c1
InChIInChI=1S/C24H22ClN3O4S/c1-27(20-9-3-7-18(25)15-20)33(31,32)22-11-2-6-17(14-22)24(30)26-19-8-4-10-21(16-19)28-13-5-12-23(28)29/h2-4,6-11,14-16H,5,12-13H2,1H3,(H,26,30)
InChIKeyZEJLBAADAGDDDH-UHFFFAOYSA-N
MW483.98 g/mol
LogP4.54
Rot. Bonds6

About 3-[(3-chlorophenyl)-methylsulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide

3-[(3-chlorophenyl)-methylsulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide (PubChem CID 16564284) has the molecular formula C24H22ClN3O4S and a molecular weight of 483.98 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)-methylsulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)-methylsulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
PubChem CID16564284
Molecular FormulaC24H22ClN3O4S
Molecular Weight483.98 g/mol
Exact Mass483.10
IUPAC Name3-[(3-chlorophenyl)-methylsulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
SMILESCN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)Nc2cccc(N3CCCC3=O)c2)c1
InChIInChI=1S/C24H22ClN3O4S/c1-27(20-9-3-7-18(25)15-20)33(31,32)22-11-2-6-17(14-22)24(30)26-19-8-4-10-21(16-19)28-13-5-12-23(28)29/h2-4,6-11,14-16H,5,12-13H2,1H3,(H,26,30)
InChIKeyZEJLBAADAGDDDH-UHFFFAOYSA-N
XLogP4.54
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.98
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl(phenyl)sulfamoyl]-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzamide
CID 46599993
3-iodo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 9050034
3-[(3-chlorophenyl)-methylsulfamoyl]-N-[4-(cyclopropylcarbamoyl)phenyl]benzamide
CID 46553641
3-[(3-chlorophenyl)-methylsulfamoyl]-N-quinolin-6-ylbenzamide
CID 55784053
N-(3-hydroxyphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 78816654
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 16603036
2-[benzyl-(3-chlorophenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 34061557
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 55778587
3-(tert-butylsulfamoyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 8747935
3-chloro-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687271
1-(4-chlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 7686904
4-(methoxysulfamoyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 55704261

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)-methylsulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The IUPAC name of 3-[(3-chlorophenyl)-methylsulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide (CID 16564284) is 3-[(3-chlorophenyl)-methylsulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 3-[(3-chlorophenyl)-methylsulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The canonical SMILES for 3-[(3-chlorophenyl)-methylsulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide is CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)Nc2cccc(N3CCCC3=O)c2)c1.
What is the InChIKey of 3-[(3-chlorophenyl)-methylsulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The InChIKey is ZEJLBAADAGDDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O4S/c1-27(20-9-3-7-18(25)15-20)33(31,32)22-11-2-6-17(14-22)24(30)26-19-8-4-10-21(16-19)28-13-5-12-23(28)29/h2-4,6-11,14-16H,5,12-13H2,1H3,(H,26,30).
What are the key properties of 3-[(3-chlorophenyl)-methylsulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
3-[(3-chlorophenyl)-methylsulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide has a molecular weight of 483.98 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)-methylsulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 16564284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).