2-chloro-5-(4-methylpiperidin-1-yl)sulfonyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide

C23H26ClN3O4S — CID 92684315

IUPAC2-chloro-5-(4-methylpiperidin-1-yl)sulfonyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
SMILESCC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(N4CCCC4=O)cc3)c2)CC1
InChIInChI=1S/C23H26ClN3O4S/c1-16-10-13-26(14-11-16)32(30,31)19-8-9-21(24)20(15-19)23(29)25-17-4-6-18(7-5-17)27-12-2-3-22(27)28/h4-9,15-16H,2-3,10-14H2,1H3,(H,25,29)
InChIKeyFKLHEZFPUMFKMH-UHFFFAOYSA-N
MW476.00 g/mol
LogP4.14
Rot. Bonds5

About 2-chloro-5-(4-methylpiperidin-1-yl)sulfonyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide

2-chloro-5-(4-methylpiperidin-1-yl)sulfonyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide (PubChem CID 92684315) has the molecular formula C23H26ClN3O4S and a molecular weight of 476.00 g/mol. Its IUPAC name is 2-chloro-5-(4-methylpiperidin-1-yl)sulfonyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-(4-methylpiperidin-1-yl)sulfonyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
PubChem CID92684315
Molecular FormulaC23H26ClN3O4S
Molecular Weight476.00 g/mol
Exact Mass475.13
IUPAC Name2-chloro-5-(4-methylpiperidin-1-yl)sulfonyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
SMILESCC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(N4CCCC4=O)cc3)c2)CC1
InChIInChI=1S/C23H26ClN3O4S/c1-16-10-13-26(14-11-16)32(30,31)19-8-9-21(24)20(15-19)23(29)25-17-4-6-18(7-5-17)27-12-2-3-22(27)28/h4-9,15-16H,2-3,10-14H2,1H3,(H,25,29)
InChIKeyFKLHEZFPUMFKMH-UHFFFAOYSA-N
XLogP4.14
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.00
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-5-(4-methylpiperidin-1-yl)sulfonyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]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

2-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55389012
2-chloro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-5-sulfamoylbenzamide
CID 46549243
2-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-piperidin-1-ylsulfonylbenzamide
CID 46387444
2-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 27838215
2-chloro-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 43882758
2-chloro-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 43882746
2-chloro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-nitrobenzamide
CID 26862516
2-chloro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686374
2-chloro-N-cyclohexyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28591311
2-chloro-N-(2-methylphenyl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28591320
N-(4-bromophenyl)-2-fluoro-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 4193185
N-[3-(4-tert-butylbenzoyl)phenyl]-2-chloro-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 99951227

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-methylpiperidin-1-yl)sulfonyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The IUPAC name of 2-chloro-5-(4-methylpiperidin-1-yl)sulfonyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide (CID 92684315) is 2-chloro-5-(4-methylpiperidin-1-yl)sulfonyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-5-(4-methylpiperidin-1-yl)sulfonyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The canonical SMILES for 2-chloro-5-(4-methylpiperidin-1-yl)sulfonyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide is CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(N4CCCC4=O)cc3)c2)CC1.
What is the InChIKey of 2-chloro-5-(4-methylpiperidin-1-yl)sulfonyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The InChIKey is FKLHEZFPUMFKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O4S/c1-16-10-13-26(14-11-16)32(30,31)19-8-9-21(24)20(15-19)23(29)25-17-4-6-18(7-5-17)27-12-2-3-22(27)28/h4-9,15-16H,2-3,10-14H2,1H3,(H,25,29).
What are the key properties of 2-chloro-5-(4-methylpiperidin-1-yl)sulfonyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
2-chloro-5-(4-methylpiperidin-1-yl)sulfonyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide has a molecular weight of 476.00 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-methylpiperidin-1-yl)sulfonyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 92684315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).