N-(1,2-dihydroacenaphthylen-5-yl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

C22H20N2O3S — CID 35951350

IUPACN-(1,2-dihydroacenaphthylen-5-yl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESO=C1CCCN1c1ccc(S(=O)(=O)Nc2ccc3c4c(cccc24)CC3)cc1
InChIInChI=1S/C22H20N2O3S/c25-21-5-2-14-24(21)17-9-11-18(12-10-17)28(26,27)23-20-13-8-16-7-6-15-3-1-4-19(20)22(15)16/h1,3-4,8-13,23H,2,5-7,14H2
InChIKeyXOPOZPGBXYPPLN-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.87
Rot. Bonds4

About N-(1,2-dihydroacenaphthylen-5-yl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

N-(1,2-dihydroacenaphthylen-5-yl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 35951350) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-(1,2-dihydroacenaphthylen-5-yl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1,2-dihydroacenaphthylen-5-yl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID35951350
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC NameN-(1,2-dihydroacenaphthylen-5-yl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESO=C1CCCN1c1ccc(S(=O)(=O)Nc2ccc3c4c(cccc24)CC3)cc1
InChIInChI=1S/C22H20N2O3S/c25-21-5-2-14-24(21)17-9-11-18(12-10-17)28(26,27)23-20-13-8-16-7-6-15-3-1-4-19(20)22(15)16/h1,3-4,8-13,23H,2,5-7,14H2
InChIKeyXOPOZPGBXYPPLN-UHFFFAOYSA-N
XLogP3.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-naphthalen-1-yl-4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzenesulfonamide
CID 99955062
4-(2-oxopyrrolidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8823939
4-(1,2-dihydroacenaphthylen-5-ylsulfamoyl)benzamide
CID 51284207
4-(2-oxopyrrolidin-1-yl)-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 8823611
N-(2-chloro-4-methylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8822523
N-(naphthalen-1-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 95045248
5-methyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzoic acid
CID 47784387
N-(2-benzoylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 58664932
N-[2-[(2S)-butan-2-yl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8822857
N-(4-methylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8823223
N-(4-chlorophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8822397
N-cyclopropyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 22695508

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (CID 35951350) is N-(1,2-dihydroacenaphthylen-5-yl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-(1,2-dihydroacenaphthylen-5-yl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-(1,2-dihydroacenaphthylen-5-yl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is O=C1CCCN1c1ccc(S(=O)(=O)Nc2ccc3c4c(cccc24)CC3)cc1.
What is the InChIKey of N-(1,2-dihydroacenaphthylen-5-yl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is XOPOZPGBXYPPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3S/c25-21-5-2-14-24(21)17-9-11-18(12-10-17)28(26,27)23-20-13-8-16-7-6-15-3-1-4-19(20)22(15)16/h1,3-4,8-13,23H,2,5-7,14H2.
What are the key properties of N-(1,2-dihydroacenaphthylen-5-yl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
N-(1,2-dihydroacenaphthylen-5-yl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 392.48 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dihydroacenaphthylen-5-yl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 35951350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).