4-ethyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide

C19H22N2O3S — CID 110640271

IUPAC4-ethyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC2CC(=O)N(c3ccccc3)C2)cc1
InChIInChI=1S/C19H22N2O3S/c1-2-15-8-10-18(11-9-15)25(23,24)20-13-16-12-19(22)21(14-16)17-6-4-3-5-7-17/h3-11,16,20H,2,12-14H2,1H3
InChIKeyJNCLPINHYZCSOB-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.58
Rot. Bonds6

About 4-ethyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide

4-ethyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide (PubChem CID 110640271) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 4-ethyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide
PubChem CID110640271
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name4-ethyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC2CC(=O)N(c3ccccc3)C2)cc1
InChIInChI=1S/C19H22N2O3S/c1-2-15-8-10-18(11-9-15)25(23,24)20-13-16-12-19(22)21(14-16)17-6-4-3-5-7-17/h3-11,16,20H,2,12-14H2,1H3
InChIKeyJNCLPINHYZCSOB-UHFFFAOYSA-N
XLogP2.58
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40911700
4-chloro-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40911707
4-fluoro-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40911714
4-methoxy-3-methyl-N-[[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40911748
4-fluoro-N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40912146
N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 131935929
N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-1,3-benzodioxole-5-sulfonamide
CID 110413537
4-ethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 110640330
4-chloro-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
CID 16919756
2,5-dimethyl-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40911833
4-methoxy-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
CID 16919759
2,4-difluoro-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 16919575

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-ethyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide (CID 110640271) is 4-ethyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide is CCc1ccc(S(=O)(=O)NCC2CC(=O)N(c3ccccc3)C2)cc1.
What is the InChIKey of 4-ethyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide?
The InChIKey is JNCLPINHYZCSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-2-15-8-10-18(11-9-15)25(23,24)20-13-16-12-19(22)21(14-16)17-6-4-3-5-7-17/h3-11,16,20H,2,12-14H2,1H3.
What are the key properties of 4-ethyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide?
4-ethyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide has a molecular weight of 358.46 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110640271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).