5-(benzenesulfonyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide

C22H20FNO6S2 — CID 125434394

IUPAC5-(benzenesulfonyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
SMILESO=C(c1ccc(S(=O)(=O)c2ccccc2)o1)N(Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C22H20FNO6S2/c23-17-8-6-16(7-9-17)14-24(18-12-13-31(26,27)15-18)22(25)20-10-11-21(30-20)32(28,29)19-4-2-1-3-5-19/h1-11,18H,12-15H2/t18-/m0/s1
InChIKeyOHHLLPHLYZLDRV-SFHVURJKSA-N
MW477.54 g/mol
LogP3.08
Rot. Bonds6

About 5-(benzenesulfonyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide

5-(benzenesulfonyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide (PubChem CID 125434394) has the molecular formula C22H20FNO6S2 and a molecular weight of 477.54 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(benzenesulfonyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
PubChem CID125434394
Molecular FormulaC22H20FNO6S2
Molecular Weight477.54 g/mol
Exact Mass477.07
IUPAC Name5-(benzenesulfonyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
SMILESO=C(c1ccc(S(=O)(=O)c2ccccc2)o1)N(Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C22H20FNO6S2/c23-17-8-6-16(7-9-17)14-24(18-12-13-31(26,27)15-18)22(25)20-10-11-21(30-20)32(28,29)19-4-2-1-3-5-19/h1-11,18H,12-15H2/t18-/m0/s1
InChIKeyOHHLLPHLYZLDRV-SFHVURJKSA-N
XLogP3.08
TPSA101.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(benzenesulfonyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-fluorophenyl)methyl]furan-2-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

5-(benzenesulfonyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 125434366
N-[(3-bromophenyl)methyl]-5-(4-bromophenyl)sulfonyl-N-[(3S)-1,1-dioxothiolan-3-yl]furan-2-carboxamide
CID 125434364
5-(4-bromophenyl)sulfonyl-N-[[4-(dimethylamino)phenyl]methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]furan-2-carboxamide
CID 125434402
N-benzyl-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzamide
CID 665750
N-benzyl-N-[(3R)-1,1-dioxothiolan-3-yl]-5-(2-fluorophenyl)furan-2-carboxamide
CID 8011479
N-[(4-chlorophenyl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-4-fluorobenzamide
CID 7544494
5-(2,5-dichlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 35346467
N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]-4-methylbenzamide
CID 18817810
N-benzyl-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 7198186
2,4-dichloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]benzamide
CID 18817930
N-[(4-chlorophenyl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 7588591
(3S)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(4-fluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 40654152

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-(benzenesulfonyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide (CID 125434394) is 5-(benzenesulfonyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-(benzenesulfonyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-(benzenesulfonyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide is O=C(c1ccc(S(=O)(=O)c2ccccc2)o1)N(Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of 5-(benzenesulfonyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide?
The InChIKey is OHHLLPHLYZLDRV-SFHVURJKSA-N. The full InChI is InChI=1S/C22H20FNO6S2/c23-17-8-6-16(7-9-17)14-24(18-12-13-31(26,27)15-18)22(25)20-10-11-21(30-20)32(28,29)19-4-2-1-3-5-19/h1-11,18H,12-15H2/t18-/m0/s1.
What are the key properties of 5-(benzenesulfonyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide?
5-(benzenesulfonyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide has a molecular weight of 477.54 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 125434394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).