N-[1-[(3-cyanophenyl)methyl]-5-oxopyrrolidin-3-yl]dibenzofuran-2-sulfonamide

C24H19N3O4S — CID 54016208

IUPACN-[1-[(3-cyanophenyl)methyl]-5-oxopyrrolidin-3-yl]dibenzofuran-2-sulfonamide
SMILESN#Cc1cccc(CN2CC(NS(=O)(=O)c3ccc4oc5ccccc5c4c3)CC2=O)c1
InChIInChI=1S/C24H19N3O4S/c25-13-16-4-3-5-17(10-16)14-27-15-18(11-24(27)28)26-32(29,30)19-8-9-23-21(12-19)20-6-1-2-7-22(20)31-23/h1-10,12,18,26H,11,14-15H2
InChIKeyKVUMTOFGJNTJNN-UHFFFAOYSA-N
MW445.50 g/mol
LogP3.54
Rot. Bonds5

About N-[1-[(3-cyanophenyl)methyl]-5-oxopyrrolidin-3-yl]dibenzofuran-2-sulfonamide

N-[1-[(3-cyanophenyl)methyl]-5-oxopyrrolidin-3-yl]dibenzofuran-2-sulfonamide (PubChem CID 54016208) has the molecular formula C24H19N3O4S and a molecular weight of 445.50 g/mol. Its IUPAC name is N-[1-[(3-cyanophenyl)methyl]-5-oxopyrrolidin-3-yl]dibenzofuran-2-sulfonamide.

Molecular Properties

Compound NameN-[1-[(3-cyanophenyl)methyl]-5-oxopyrrolidin-3-yl]dibenzofuran-2-sulfonamide
PubChem CID54016208
Molecular FormulaC24H19N3O4S
Molecular Weight445.50 g/mol
Exact Mass445.11
IUPAC NameN-[1-[(3-cyanophenyl)methyl]-5-oxopyrrolidin-3-yl]dibenzofuran-2-sulfonamide
SMILESN#Cc1cccc(CN2CC(NS(=O)(=O)c3ccc4oc5ccccc5c4c3)CC2=O)c1
InChIInChI=1S/C24H19N3O4S/c25-13-16-4-3-5-17(10-16)14-27-15-18(11-24(27)28)26-32(29,30)19-8-9-23-21(12-19)20-6-1-2-7-22(20)31-23/h1-10,12,18,26H,11,14-15H2
InChIKeyKVUMTOFGJNTJNN-UHFFFAOYSA-N
XLogP3.54
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[4-(dibenzofuran-2-ylsulfonylamino)-2-oxopyrrolidin-1-yl]methyl]benzenecarboximidamide;2,2,2-trifluoroacetic acid
CID 67365065
3-[(2-oxo-4-sulfanylpyrrolidin-1-yl)methyl]benzonitrile
CID 168709546
N-[1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide
CID 66757324
N-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-3-cyanobenzamide
CID 95334504
N-[1-[(3-cyanophenyl)methyl]-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide
CID 54070623
N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-4-phenoxybenzenesulfonamide
CID 10789587
N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-7-hydroxynaphthalene-2-sulfonamide
CID 10645849
5-[2-(3-cyanophenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid
CID 170307499
N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide
CID 95275479
3-[(3-oxomorpholin-4-yl)methyl]benzonitrile
CID 79468539
N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-4-(3-methylphenyl)benzenesulfonamide
CID 10837063
3-cyano-N-(oxolan-3-yl)benzenesulfonamide
CID 80714272

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-cyanophenyl)methyl]-5-oxopyrrolidin-3-yl]dibenzofuran-2-sulfonamide?
The IUPAC name of N-[1-[(3-cyanophenyl)methyl]-5-oxopyrrolidin-3-yl]dibenzofuran-2-sulfonamide (CID 54016208) is N-[1-[(3-cyanophenyl)methyl]-5-oxopyrrolidin-3-yl]dibenzofuran-2-sulfonamide.
What is the SMILES notation for N-[1-[(3-cyanophenyl)methyl]-5-oxopyrrolidin-3-yl]dibenzofuran-2-sulfonamide?
The canonical SMILES for N-[1-[(3-cyanophenyl)methyl]-5-oxopyrrolidin-3-yl]dibenzofuran-2-sulfonamide is N#Cc1cccc(CN2CC(NS(=O)(=O)c3ccc4oc5ccccc5c4c3)CC2=O)c1.
What is the InChIKey of N-[1-[(3-cyanophenyl)methyl]-5-oxopyrrolidin-3-yl]dibenzofuran-2-sulfonamide?
The InChIKey is KVUMTOFGJNTJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O4S/c25-13-16-4-3-5-17(10-16)14-27-15-18(11-24(27)28)26-32(29,30)19-8-9-23-21(12-19)20-6-1-2-7-22(20)31-23/h1-10,12,18,26H,11,14-15H2.
What are the key properties of N-[1-[(3-cyanophenyl)methyl]-5-oxopyrrolidin-3-yl]dibenzofuran-2-sulfonamide?
N-[1-[(3-cyanophenyl)methyl]-5-oxopyrrolidin-3-yl]dibenzofuran-2-sulfonamide has a molecular weight of 445.50 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-cyanophenyl)methyl]-5-oxopyrrolidin-3-yl]dibenzofuran-2-sulfonamide is sourced from PubChem (CID 54016208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).