4-(2-benzylpyrrolidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide

C21H24N2O3S — CID 24627974

IUPAC4-(2-benzylpyrrolidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)N2CCCC2Cc2ccccc2)cc1
InChIInChI=1S/C21H24N2O3S/c1-2-14-22-27(25,26)20-12-10-18(11-13-20)21(24)23-15-6-9-19(23)16-17-7-4-3-5-8-17/h2-5,7-8,10-13,19,22H,1,6,9,14-16H2
InChIKeyKAGFHCVNOPANKW-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.00
Rot. Bonds7

About 4-(2-benzylpyrrolidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide

4-(2-benzylpyrrolidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide (PubChem CID 24627974) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is 4-(2-benzylpyrrolidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2-benzylpyrrolidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
PubChem CID24627974
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC Name4-(2-benzylpyrrolidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)N2CCCC2Cc2ccccc2)cc1
InChIInChI=1S/C21H24N2O3S/c1-2-14-22-27(25,26)20-12-10-18(11-13-20)21(24)23-15-6-9-19(23)16-17-7-4-3-5-8-17/h2-5,7-8,10-13,19,22H,1,6,9,14-16H2
InChIKeyKAGFHCVNOPANKW-UHFFFAOYSA-N
XLogP3.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2-benzylpyrrolidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 24627934
[(2S)-2-benzylpiperidin-1-yl]-phenylmethanone
CID 155929798
N-prop-2-enyl-4-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 41442277
4-(prop-2-enylsulfamoyl)benzoic acid
CID 2512621
(2-benzylpyrrolidin-1-yl)-[4-[(dimethylamino)methyl]phenyl]methanone
CID 75402551
4-[(2S)-2-benzylpyrrolidine-1-carbonyl]-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide
CID 25375184
N-[4-[(2R)-2-benzylpyrrolidine-1-carbonyl]phenyl]-4-methyl-3-nitrobenzenesulfonamide
CID 25390882
4-[4-(prop-2-enylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
CID 119215901
4-[3-(methylaminomethyl)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide;hydrochloride
CID 119398750
[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-phenylmethanone
CID 110411316
4-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide
CID 60574602
N-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]benzenesulfonamide
CID 119633913

Frequently Asked Questions

What is the IUPAC name of 4-(2-benzylpyrrolidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 4-(2-benzylpyrrolidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide (CID 24627974) is 4-(2-benzylpyrrolidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 4-(2-benzylpyrrolidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 4-(2-benzylpyrrolidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide is C=CCNS(=O)(=O)c1ccc(C(=O)N2CCCC2Cc2ccccc2)cc1.
What is the InChIKey of 4-(2-benzylpyrrolidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide?
The InChIKey is KAGFHCVNOPANKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-2-14-22-27(25,26)20-12-10-18(11-13-20)21(24)23-15-6-9-19(23)16-17-7-4-3-5-8-17/h2-5,7-8,10-13,19,22H,1,6,9,14-16H2.
What are the key properties of 4-(2-benzylpyrrolidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide?
4-(2-benzylpyrrolidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide has a molecular weight of 384.50 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-benzylpyrrolidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 24627974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).