3-propanoyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide

C14H20N2O3S — CID 119974575

IUPAC3-propanoyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
SMILESCCC(=O)c1cccc(S(=O)(=O)NCC2CCCN2)c1
InChIInChI=1S/C14H20N2O3S/c1-2-14(17)11-5-3-7-13(9-11)20(18,19)16-10-12-6-4-8-15-12/h3,5,7,9,12,15-16H,2,4,6,8,10H2,1H3
InChIKeyQPMJUNLQNBJLNA-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.31
Rot. Bonds6

About 3-propanoyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide

3-propanoyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide (PubChem CID 119974575) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 3-propanoyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-propanoyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
PubChem CID119974575
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name3-propanoyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
SMILESCCC(=O)c1cccc(S(=O)(=O)NCC2CCCN2)c1
InChIInChI=1S/C14H20N2O3S/c1-2-14(17)11-5-3-7-13(9-11)20(18,19)16-10-12-6-4-8-15-12/h3,5,7,9,12,15-16H,2,4,6,8,10H2,1H3
InChIKeyQPMJUNLQNBJLNA-UHFFFAOYSA-N
XLogP1.31
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-propanoyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide 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

methyl 3-(pyrrolidin-2-ylmethylsulfamoyl)benzoate
CID 62540597
3-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974293
3-bromo-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 62540771
N-[(2-methylphenyl)methyl]-3-[[(2S)-pyrrolidin-2-yl]methylsulfamoyl]benzamide;hydrochloride
CID 154899456
3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974220
3-(propan-2-ylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513593
3-(cyclopentylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119509919
N-(3-ethylpentan-3-yl)-3-propanoylbenzenesulfonamide
CID 65042545
N-[2-(methylamino)ethyl]-3-propanoylbenzenesulfonamide;hydrochloride
CID 119973412
N-(2,2-difluoroethyl)-3-propanoylbenzenesulfonamide
CID 115282992
methyl 3-(morpholin-3-ylmethylsulfamoyl)benzoate
CID 103548901
N-(3,3-difluoro-2-hydroxypropyl)-3-propanoylbenzenesulfonamide
CID 103836741

Frequently Asked Questions

What is the IUPAC name of 3-propanoyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-propanoyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide (CID 119974575) is 3-propanoyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-propanoyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-propanoyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide is CCC(=O)c1cccc(S(=O)(=O)NCC2CCCN2)c1.
What is the InChIKey of 3-propanoyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The InChIKey is QPMJUNLQNBJLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-2-14(17)11-5-3-7-13(9-11)20(18,19)16-10-12-6-4-8-15-12/h3,5,7,9,12,15-16H,2,4,6,8,10H2,1H3.
What are the key properties of 3-propanoyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
3-propanoyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide has a molecular weight of 296.39 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propanoyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 119974575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).