3-acetyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide

C15H20N2O4S — CID 78774480

IUPAC3-acetyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCCC(=O)N2CCCC2)c1
InChIInChI=1S/C15H20N2O4S/c1-12(18)13-5-4-6-14(11-13)22(20,21)16-8-7-15(19)17-9-2-3-10-17/h4-6,11,16H,2-3,7-10H2,1H3
InChIKeyJZYUOJHWZZWFHK-UHFFFAOYSA-N
MW324.40 g/mol
LogP1.18
Rot. Bonds6

About 3-acetyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide

3-acetyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide (PubChem CID 78774480) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is 3-acetyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
PubChem CID78774480
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Name3-acetyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCCC(=O)N2CCCC2)c1
InChIInChI=1S/C15H20N2O4S/c1-12(18)13-5-4-6-14(11-13)22(20,21)16-8-7-15(19)17-9-2-3-10-17/h4-6,11,16H,2-3,7-10H2,1H3
InChIKeyJZYUOJHWZZWFHK-UHFFFAOYSA-N
XLogP1.18
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 51149463
3-acetyl-N-[3-[(3S)-3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 99784244
3-[(3-acetylphenyl)sulfonylamino]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide
CID 46467072
N-[3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropyl]-3-bromobenzenesulfonamide
CID 31541405
3-acetyl-N-[2-(2-oxopiperidin-1-yl)ethyl]benzenesulfonamide
CID 110722868
4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 17154059
3-acetyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43420736
N-butyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 17226649
N-[3-(azepan-1-yl)-3-oxopropyl]-4-methylbenzenesulfonamide
CID 9314922
3-acetyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 43501553
3-acetyl-N-(2-aminoethyl)benzenesulfonamide;hydrochloride
CID 119960312
3-(azepane-1-carbonyl)-N-butylbenzenesulfonamide
CID 17226694

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
The IUPAC name of 3-acetyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide (CID 78774480) is 3-acetyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N2CCCC2)c1.
What is the InChIKey of 3-acetyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
The InChIKey is JZYUOJHWZZWFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-12(18)13-5-4-6-14(11-13)22(20,21)16-8-7-15(19)17-9-2-3-10-17/h4-6,11,16H,2-3,7-10H2,1H3.
What are the key properties of 3-acetyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
3-acetyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide has a molecular weight of 324.40 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 78774480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).