N-(naphthalen-1-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

C21H20N2O3S — CID 95045248

IUPACN-(naphthalen-1-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESO=C1CCCN1c1ccc(S(=O)(=O)NCc2cccc3ccccc23)cc1
InChIInChI=1S/C21H20N2O3S/c24-21-9-4-14-23(21)18-10-12-19(13-11-18)27(25,26)22-15-17-7-3-6-16-5-1-2-8-20(16)17/h1-3,5-8,10-13,22H,4,9,14-15H2
InChIKeyIBJBDMGKRZHGRE-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.45
Rot. Bonds5

About N-(naphthalen-1-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

N-(naphthalen-1-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 95045248) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-(naphthalen-1-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(naphthalen-1-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID95045248
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC NameN-(naphthalen-1-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESO=C1CCCN1c1ccc(S(=O)(=O)NCc2cccc3ccccc23)cc1
InChIInChI=1S/C21H20N2O3S/c24-21-9-4-14-23(21)18-10-12-19(13-11-18)27(25,26)22-15-17-7-3-6-16-5-1-2-8-20(16)17/h1-3,5-8,10-13,22H,4,9,14-15H2
InChIKeyIBJBDMGKRZHGRE-UHFFFAOYSA-N
XLogP3.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(naphthalen-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 99599483
N-naphthalen-1-yl-4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzenesulfonamide
CID 99955062
N-[2-(2-hydroxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 110605335
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 92682729
N-[2-(2-methoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 22695522
2-methyl-1-(naphthalen-1-ylmethyl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 111413883
4-(2-oxopyrrolidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8823939
2-naphthalen-1-yl-N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]acetamide
CID 8747408
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 26540045
4-(2-oxopyrrolidin-1-yl)-N-[(E)-4-phenylbut-3-enyl]benzenesulfonamide
CID 110667633
N-(1,2-dihydroacenaphthylen-5-yl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 35951350
N-[2-(2,3-dihydroindol-1-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 112502099

Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-1-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-(naphthalen-1-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (CID 95045248) is N-(naphthalen-1-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-(naphthalen-1-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-(naphthalen-1-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is O=C1CCCN1c1ccc(S(=O)(=O)NCc2cccc3ccccc23)cc1.
What is the InChIKey of N-(naphthalen-1-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is IBJBDMGKRZHGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c24-21-9-4-14-23(21)18-10-12-19(13-11-18)27(25,26)22-15-17-7-3-6-16-5-1-2-8-20(16)17/h1-3,5-8,10-13,22H,4,9,14-15H2.
What are the key properties of N-(naphthalen-1-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
N-(naphthalen-1-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 380.47 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-1-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 95045248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).