N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-[(3,4-dimethylphenyl)sulfonylamino]benzamide

C25H24ClN3O4S — CID 46699695

IUPACN-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-[(3,4-dimethylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(N4CCCC4=O)c(Cl)c3)cc2)cc1C
InChIInChI=1S/C25H24ClN3O4S/c1-16-5-11-21(14-17(16)2)34(32,33)28-19-8-6-18(7-9-19)25(31)27-20-10-12-23(22(26)15-20)29-13-3-4-24(29)30/h5-12,14-15,28H,3-4,13H2,1-2H3,(H,27,31)
InChIKeyFRVGUXNMRDBQGB-UHFFFAOYSA-N
MW498.00 g/mol
LogP5.14
Rot. Bonds6

About N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-[(3,4-dimethylphenyl)sulfonylamino]benzamide

N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-[(3,4-dimethylphenyl)sulfonylamino]benzamide (PubChem CID 46699695) has the molecular formula C25H24ClN3O4S and a molecular weight of 498.00 g/mol. Its IUPAC name is N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-[(3,4-dimethylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-[(3,4-dimethylphenyl)sulfonylamino]benzamide
PubChem CID46699695
Molecular FormulaC25H24ClN3O4S
Molecular Weight498.00 g/mol
Exact Mass497.12
IUPAC NameN-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-[(3,4-dimethylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(N4CCCC4=O)c(Cl)c3)cc2)cc1C
InChIInChI=1S/C25H24ClN3O4S/c1-16-5-11-21(14-17(16)2)34(32,33)28-19-8-6-18(7-9-19)25(31)27-20-10-12-23(22(26)15-20)29-13-3-4-24(29)30/h5-12,14-15,28H,3-4,13H2,1-2H3,(H,27,31)
InChIKeyFRVGUXNMRDBQGB-UHFFFAOYSA-N
XLogP5.14
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.00
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-[(3,4-dimethylphenyl)sulfonylamino]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-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 99954159
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 16603036
methyl 4-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzoate
CID 92686187
5-(benzylsulfamoyl)-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-methylbenzamide
CID 46528607
N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-4-iodobenzamide
CID 3955566
4-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoic acid
CID 45393767
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 7686708
N-(3-chloro-4-methylphenyl)-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 46764647
1-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 24602844
N-(3-chloro-4-pyrrolidin-1-ylphenyl)-3,4-dimethylbenzamide
CID 833887
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 18204867
N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide
CID 7686984

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-[(3,4-dimethylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-[(3,4-dimethylphenyl)sulfonylamino]benzamide (CID 46699695) is N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-[(3,4-dimethylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-[(3,4-dimethylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-[(3,4-dimethylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(N4CCCC4=O)c(Cl)c3)cc2)cc1C.
What is the InChIKey of N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-[(3,4-dimethylphenyl)sulfonylamino]benzamide?
The InChIKey is FRVGUXNMRDBQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O4S/c1-16-5-11-21(14-17(16)2)34(32,33)28-19-8-6-18(7-9-19)25(31)27-20-10-12-23(22(26)15-20)29-13-3-4-24(29)30/h5-12,14-15,28H,3-4,13H2,1-2H3,(H,27,31).
What are the key properties of N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-[(3,4-dimethylphenyl)sulfonylamino]benzamide?
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-[(3,4-dimethylphenyl)sulfonylamino]benzamide has a molecular weight of 498.00 g/mol, XLogP of 5.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-[(3,4-dimethylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 46699695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).