1-(1,3-benzodioxol-5-yl)-N-[2-(difluoromethylsulfonyl)phenyl]-5-oxopyrrolidine-3-carboxamide

C19H16F2N2O6S — CID 55632825

IUPAC1-(1,3-benzodioxol-5-yl)-N-[2-(difluoromethylsulfonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1S(=O)(=O)C(F)F)C1CC(=O)N(c2ccc3c(c2)OCO3)C1
InChIInChI=1S/C19H16F2N2O6S/c20-19(21)30(26,27)16-4-2-1-3-13(16)22-18(25)11-7-17(24)23(9-11)12-5-6-14-15(8-12)29-10-28-14/h1-6,8,11,19H,7,9-10H2,(H,22,25)
InChIKeyDUDUNURLZPJSAZ-UHFFFAOYSA-N
MW438.41 g/mol
LogP2.40
Rot. Bonds5

About 1-(1,3-benzodioxol-5-yl)-N-[2-(difluoromethylsulfonyl)phenyl]-5-oxopyrrolidine-3-carboxamide

1-(1,3-benzodioxol-5-yl)-N-[2-(difluoromethylsulfonyl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 55632825) has the molecular formula C19H16F2N2O6S and a molecular weight of 438.41 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[2-(difluoromethylsulfonyl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-[2-(difluoromethylsulfonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID55632825
Molecular FormulaC19H16F2N2O6S
Molecular Weight438.41 g/mol
Exact Mass438.07
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-[2-(difluoromethylsulfonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1S(=O)(=O)C(F)F)C1CC(=O)N(c2ccc3c(c2)OCO3)C1
InChIInChI=1S/C19H16F2N2O6S/c20-19(21)30(26,27)16-4-2-1-3-13(16)22-18(25)11-7-17(24)23(9-11)12-5-6-14-15(8-12)29-10-28-14/h1-6,8,11,19H,7,9-10H2,(H,22,25)
InChIKeyDUDUNURLZPJSAZ-UHFFFAOYSA-N
XLogP2.40
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(1,3-benzodioxol-5-yl)-N-[2-(difluoromethylsulfonyl)phenyl]-5-oxopyrrolidine-3-carboxamide 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

1-(1,3-benzodioxol-5-yl)-5-oxo-N-(2-phenylphenyl)pyrrolidine-3-carboxamide
CID 55581670
1-(1,3-benzodioxol-5-yl)-5-oxo-N-(2-phenylsulfanylphenyl)pyrrolidine-3-carboxamide
CID 108791260
N-(2-aminophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119422136
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 18077893
1-(1,3-benzodioxol-5-yl)-5-oxo-N-[2-(1-phenylethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 46589225
(3R)-1-(1,3-benzodioxol-5-yl)-5-oxo-N-(4-oxo-1H-pyridin-3-yl)pyrrolidine-3-carboxamide
CID 51940912
1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carbohydrazide
CID 75366107
(3R)-N-(1,3-benzodioxol-5-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 2458926
(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8005863
tert-butyl N-[[2-[[1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]methyl]-N-ethylcarbamate
CID 55972748
1-(1,3-benzodioxol-5-yl)-N-[3-(methanesulfonamido)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 43060347
1-(1,3-benzodioxol-5-yl)-N-[[2-(methanesulfonamido)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 55711472

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[2-(difluoromethylsulfonyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[2-(difluoromethylsulfonyl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 55632825) is 1-(1,3-benzodioxol-5-yl)-N-[2-(difluoromethylsulfonyl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[2-(difluoromethylsulfonyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[2-(difluoromethylsulfonyl)phenyl]-5-oxopyrrolidine-3-carboxamide is O=C(Nc1ccccc1S(=O)(=O)C(F)F)C1CC(=O)N(c2ccc3c(c2)OCO3)C1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[2-(difluoromethylsulfonyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DUDUNURLZPJSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O6S/c20-19(21)30(26,27)16-4-2-1-3-13(16)22-18(25)11-7-17(24)23(9-11)12-5-6-14-15(8-12)29-10-28-14/h1-6,8,11,19H,7,9-10H2,(H,22,25).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[2-(difluoromethylsulfonyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
1-(1,3-benzodioxol-5-yl)-N-[2-(difluoromethylsulfonyl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 438.41 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-[2-(difluoromethylsulfonyl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55632825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).