N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-1,3-benzodioxole-5-sulfonamide

C18H18N2O5S — CID 110413537

IUPACN-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-1,3-benzodioxole-5-sulfonamide
SMILESO=C1CC(CNS(=O)(=O)c2ccc3c(c2)OCO3)CN1c1ccccc1
InChIInChI=1S/C18H18N2O5S/c21-18-8-13(11-20(18)14-4-2-1-3-5-14)10-19-26(22,23)15-6-7-16-17(9-15)25-12-24-16/h1-7,9,13,19H,8,10-12H2
InChIKeyJZJFSXJZEINNKB-UHFFFAOYSA-N
MW374.42 g/mol
LogP1.75
Rot. Bonds5

About N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-1,3-benzodioxole-5-sulfonamide

N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-1,3-benzodioxole-5-sulfonamide (PubChem CID 110413537) has the molecular formula C18H18N2O5S and a molecular weight of 374.42 g/mol. Its IUPAC name is N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-1,3-benzodioxole-5-sulfonamide.

Molecular Properties

Compound NameN-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-1,3-benzodioxole-5-sulfonamide
PubChem CID110413537
Molecular FormulaC18H18N2O5S
Molecular Weight374.42 g/mol
Exact Mass374.09
IUPAC NameN-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-1,3-benzodioxole-5-sulfonamide
SMILESO=C1CC(CNS(=O)(=O)c2ccc3c(c2)OCO3)CN1c1ccccc1
InChIInChI=1S/C18H18N2O5S/c21-18-8-13(11-20(18)14-4-2-1-3-5-14)10-19-26(22,23)15-6-7-16-17(9-15)25-12-24-16/h1-7,9,13,19H,8,10-12H2
InChIKeyJZJFSXJZEINNKB-UHFFFAOYSA-N
XLogP1.75
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(3R)-1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidin-3-yl]methyl]naphthalene-2-sulfonamide
CID 40912417
N-[[(3R)-1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidin-3-yl]methyl]-4-bromobenzenesulfonamide
CID 40912401
N-[[(3R)-1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidin-3-yl]methyl]-4-methylbenzenesulfonamide
CID 40912395
N-[[(3R)-1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidin-3-yl]methyl]-4-fluorobenzenesulfonamide
CID 40912404
N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40911700
4-fluoro-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40911714
4-chloro-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40911707
N-[[(3R)-1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidin-3-yl]methyl]methanesulfonamide
CID 40912383
4-methoxy-3-methyl-N-[[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40911748
4-ethyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 110640271
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 16919846
N-[[(3S)-1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidin-3-yl]methyl]-2,4,6-trimethylbenzenesulfonamide
CID 40912420

Frequently Asked Questions

What is the IUPAC name of N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-1,3-benzodioxole-5-sulfonamide?
The IUPAC name of N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-1,3-benzodioxole-5-sulfonamide (CID 110413537) is N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-1,3-benzodioxole-5-sulfonamide.
What is the SMILES notation for N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-1,3-benzodioxole-5-sulfonamide?
The canonical SMILES for N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-1,3-benzodioxole-5-sulfonamide is O=C1CC(CNS(=O)(=O)c2ccc3c(c2)OCO3)CN1c1ccccc1.
What is the InChIKey of N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-1,3-benzodioxole-5-sulfonamide?
The InChIKey is JZJFSXJZEINNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5S/c21-18-8-13(11-20(18)14-4-2-1-3-5-14)10-19-26(22,23)15-6-7-16-17(9-15)25-12-24-16/h1-7,9,13,19H,8,10-12H2.
What are the key properties of N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-1,3-benzodioxole-5-sulfonamide?
N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-1,3-benzodioxole-5-sulfonamide has a molecular weight of 374.42 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-1,3-benzodioxole-5-sulfonamide is sourced from PubChem (CID 110413537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).