4-(2-oxo-4-pyridin-3-ylbutyl)-N-(2-pyrrolidin-1-ylphenyl)benzenesulfonamide

C25H27N3O3S — CID 158464067

IUPAC4-(2-oxo-4-pyridin-3-ylbutyl)-N-(2-pyrrolidin-1-ylphenyl)benzenesulfonamide
SMILESO=C(CCc1cccnc1)Cc1ccc(S(=O)(=O)Nc2ccccc2N2CCCC2)cc1
InChIInChI=1S/C25H27N3O3S/c29-22(12-9-21-6-5-15-26-19-21)18-20-10-13-23(14-11-20)32(30,31)27-24-7-1-2-8-25(24)28-16-3-4-17-28/h1-2,5-8,10-11,13-15,19,27H,3-4,9,12,16-18H2
InChIKeyHFNMWWBKXWHNKR-UHFFFAOYSA-N
MW449.58 g/mol
LogP4.23
Rot. Bonds9

About 4-(2-oxo-4-pyridin-3-ylbutyl)-N-(2-pyrrolidin-1-ylphenyl)benzenesulfonamide

4-(2-oxo-4-pyridin-3-ylbutyl)-N-(2-pyrrolidin-1-ylphenyl)benzenesulfonamide (PubChem CID 158464067) has the molecular formula C25H27N3O3S and a molecular weight of 449.58 g/mol. Its IUPAC name is 4-(2-oxo-4-pyridin-3-ylbutyl)-N-(2-pyrrolidin-1-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-oxo-4-pyridin-3-ylbutyl)-N-(2-pyrrolidin-1-ylphenyl)benzenesulfonamide
PubChem CID158464067
Molecular FormulaC25H27N3O3S
Molecular Weight449.58 g/mol
Exact Mass449.18
IUPAC Name4-(2-oxo-4-pyridin-3-ylbutyl)-N-(2-pyrrolidin-1-ylphenyl)benzenesulfonamide
SMILESO=C(CCc1cccnc1)Cc1ccc(S(=O)(=O)Nc2ccccc2N2CCCC2)cc1
InChIInChI=1S/C25H27N3O3S/c29-22(12-9-21-6-5-15-26-19-21)18-20-10-13-23(14-11-20)32(30,31)27-24-7-1-2-8-25(24)28-16-3-4-17-28/h1-2,5-8,10-11,13-15,19,27H,3-4,9,12,16-18H2
InChIKeyHFNMWWBKXWHNKR-UHFFFAOYSA-N
XLogP4.23
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylphenyl]-4-pyridin-3-ylbutan-2-one
CID 161404684
N-[2-[(2S)-2-hydroxypropoxy]phenyl]-4-(2-oxo-4-pyridin-3-ylbutyl)benzenesulfonamide
CID 165042728
3-pyridin-3-yl-N-(2-pyrrolidin-1-ylphenyl)propanamide
CID 30583465
4-(3-methylbutanoyl)-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfonamide
CID 158304763
N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]methanesulfonamide
CID 158830011
1-[4-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]sulfonylphenyl]-4-pyridin-3-ylbutan-2-one
CID 158456391
N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]-1-phenylmethanesulfonamide
CID 147985975
3-[(4-methylphenyl)sulfonylamino]-4-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide
CID 4170888
4-[(2-piperidin-1-ylphenyl)sulfamoyl]benzamide
CID 51263382
1-[4-[(2-phenylphenyl)methylsulfonyl]phenyl]-4-pyridin-3-ylbutan-2-one
CID 147366026
4-bromo-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 2435475
1-[[1-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]sulfonylpiperidin-4-yl]methyl]pyrrolidin-2-one
CID 159219434

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-4-pyridin-3-ylbutyl)-N-(2-pyrrolidin-1-ylphenyl)benzenesulfonamide?
The IUPAC name of 4-(2-oxo-4-pyridin-3-ylbutyl)-N-(2-pyrrolidin-1-ylphenyl)benzenesulfonamide (CID 158464067) is 4-(2-oxo-4-pyridin-3-ylbutyl)-N-(2-pyrrolidin-1-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-oxo-4-pyridin-3-ylbutyl)-N-(2-pyrrolidin-1-ylphenyl)benzenesulfonamide?
The canonical SMILES for 4-(2-oxo-4-pyridin-3-ylbutyl)-N-(2-pyrrolidin-1-ylphenyl)benzenesulfonamide is O=C(CCc1cccnc1)Cc1ccc(S(=O)(=O)Nc2ccccc2N2CCCC2)cc1.
What is the InChIKey of 4-(2-oxo-4-pyridin-3-ylbutyl)-N-(2-pyrrolidin-1-ylphenyl)benzenesulfonamide?
The InChIKey is HFNMWWBKXWHNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3S/c29-22(12-9-21-6-5-15-26-19-21)18-20-10-13-23(14-11-20)32(30,31)27-24-7-1-2-8-25(24)28-16-3-4-17-28/h1-2,5-8,10-11,13-15,19,27H,3-4,9,12,16-18H2.
What are the key properties of 4-(2-oxo-4-pyridin-3-ylbutyl)-N-(2-pyrrolidin-1-ylphenyl)benzenesulfonamide?
4-(2-oxo-4-pyridin-3-ylbutyl)-N-(2-pyrrolidin-1-ylphenyl)benzenesulfonamide has a molecular weight of 449.58 g/mol, XLogP of 4.23, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-4-pyridin-3-ylbutyl)-N-(2-pyrrolidin-1-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 158464067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).