4-(2-oxopyrrolidin-1-yl)-N-(2-piperidin-1-ylphenyl)benzenesulfonamide

C21H25N3O3S — CID 8823611

IUPAC4-(2-oxopyrrolidin-1-yl)-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
SMILESO=C1CCCN1c1ccc(S(=O)(=O)Nc2ccccc2N2CCCCC2)cc1
InChIInChI=1S/C21H25N3O3S/c25-21-9-6-16-24(21)17-10-12-18(13-11-17)28(26,27)22-19-7-2-3-8-20(19)23-14-4-1-5-15-23/h2-3,7-8,10-13,22H,1,4-6,9,14-16H2
InChIKeyFTNWAJQEDSGOTG-UHFFFAOYSA-N
MW399.52 g/mol
LogP3.60
Rot. Bonds5

About 4-(2-oxopyrrolidin-1-yl)-N-(2-piperidin-1-ylphenyl)benzenesulfonamide

4-(2-oxopyrrolidin-1-yl)-N-(2-piperidin-1-ylphenyl)benzenesulfonamide (PubChem CID 8823611) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is 4-(2-oxopyrrolidin-1-yl)-N-(2-piperidin-1-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-oxopyrrolidin-1-yl)-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
PubChem CID8823611
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC Name4-(2-oxopyrrolidin-1-yl)-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
SMILESO=C1CCCN1c1ccc(S(=O)(=O)Nc2ccccc2N2CCCCC2)cc1
InChIInChI=1S/C21H25N3O3S/c25-21-9-6-16-24(21)17-10-12-18(13-11-17)28(26,27)22-19-7-2-3-8-20(19)23-14-4-1-5-15-23/h2-3,7-8,10-13,22H,1,4-6,9,14-16H2
InChIKeyFTNWAJQEDSGOTG-UHFFFAOYSA-N
XLogP3.60
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 2435475
4-(2-oxopyrrolidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8823939
N-[2-[(2S)-butan-2-yl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8822857
N-(2-benzoylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 58664932
N-naphthalen-1-yl-4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzenesulfonamide
CID 99955062
4-cyano-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 2814037
N-[4-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 7636091
4-[(2-piperidin-1-ylphenyl)sulfamoyl]benzamide
CID 51263382
3,4-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8841739
N-methyl-4-[(2-piperidin-1-ylphenyl)sulfamoyl]benzamide
CID 17496437
N-(1,2-dihydroacenaphthylen-5-yl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 35951350
N-[(2R)-butan-2-yl]-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide
CID 8823353

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N-(2-piperidin-1-ylphenyl)benzenesulfonamide?
The IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N-(2-piperidin-1-ylphenyl)benzenesulfonamide (CID 8823611) is 4-(2-oxopyrrolidin-1-yl)-N-(2-piperidin-1-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-oxopyrrolidin-1-yl)-N-(2-piperidin-1-ylphenyl)benzenesulfonamide?
The canonical SMILES for 4-(2-oxopyrrolidin-1-yl)-N-(2-piperidin-1-ylphenyl)benzenesulfonamide is O=C1CCCN1c1ccc(S(=O)(=O)Nc2ccccc2N2CCCCC2)cc1.
What is the InChIKey of 4-(2-oxopyrrolidin-1-yl)-N-(2-piperidin-1-ylphenyl)benzenesulfonamide?
The InChIKey is FTNWAJQEDSGOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c25-21-9-6-16-24(21)17-10-12-18(13-11-17)28(26,27)22-19-7-2-3-8-20(19)23-14-4-1-5-15-23/h2-3,7-8,10-13,22H,1,4-6,9,14-16H2.
What are the key properties of 4-(2-oxopyrrolidin-1-yl)-N-(2-piperidin-1-ylphenyl)benzenesulfonamide?
4-(2-oxopyrrolidin-1-yl)-N-(2-piperidin-1-ylphenyl)benzenesulfonamide has a molecular weight of 399.52 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxopyrrolidin-1-yl)-N-(2-piperidin-1-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 8823611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).