N-(1-benzylpyrrolidin-3-yl)naphthalene-1-sulfonamide

C21H22N2O2S — CID 3791981

IUPACN-(1-benzylpyrrolidin-3-yl)naphthalene-1-sulfonamide
SMILESO=S(=O)(NC1CCN(Cc2ccccc2)C1)c1cccc2ccccc12
InChIInChI=1S/C21H22N2O2S/c24-26(25,21-12-6-10-18-9-4-5-11-20(18)21)22-19-13-14-23(16-19)15-17-7-2-1-3-8-17/h1-12,19,22H,13-16H2
InChIKeyCWHYWRDZLWTWGU-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.39
Rot. Bonds5

About N-(1-benzylpyrrolidin-3-yl)naphthalene-1-sulfonamide

N-(1-benzylpyrrolidin-3-yl)naphthalene-1-sulfonamide (PubChem CID 3791981) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)naphthalene-1-sulfonamide
PubChem CID3791981
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC NameN-(1-benzylpyrrolidin-3-yl)naphthalene-1-sulfonamide
SMILESO=S(=O)(NC1CCN(Cc2ccccc2)C1)c1cccc2ccccc12
InChIInChI=1S/C21H22N2O2S/c24-26(25,21-12-6-10-18-9-4-5-11-20(18)21)22-19-13-14-23(16-19)15-17-7-2-1-3-8-17/h1-12,19,22H,13-16H2
InChIKeyCWHYWRDZLWTWGU-UHFFFAOYSA-N
XLogP3.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-benzylpyrrolidin-3-yl)naphthalene-1-sulfonamide 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

N-(1-benzylpyrrolidin-3-yl)-2-bromobenzenesulfonamide
CID 5147376
N-(1-benzylpyrrolidin-3-yl)benzenesulfonamide
CID 51169833
N-[(3S)-1-benzylpyrrolidin-3-yl]-4-bromobenzenesulfonamide
CID 40783049
3-N-(1-benzylpyrrolidin-3-yl)benzene-1,3-disulfonamide
CID 55512031
N-(1-benzylpiperidin-4-yl)-2-bromobenzenesulfonamide
CID 40562452
N-[(3S)-1-benzylpyrrolidin-3-yl]-1,3-dimethylpyrazole-4-sulfonamide
CID 51499712
N-(1-benzylpyrrolidin-3-yl)-4-iodobenzenesulfonamide;hydrochloride
CID 53421091
N-(1-methylpiperidin-3-yl)naphthalene-1-sulfonamide
CID 115684087
N-(1-benzylpiperidin-4-yl)-2-methoxybenzenesulfonamide
CID 51169998
N-cyclohexylnaphthalene-1-sulfonamide
CID 3812052
1-(1-benzylpyrrolidin-3-yl)-4-naphthalen-1-ylsulfonylpiperazine
CID 173116229
N-(1-benzylpiperidin-4-yl)-2-nitrobenzenesulfonamide;hydrochloride
CID 18197763

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)naphthalene-1-sulfonamide?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)naphthalene-1-sulfonamide (CID 3791981) is N-(1-benzylpyrrolidin-3-yl)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)naphthalene-1-sulfonamide?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)naphthalene-1-sulfonamide is O=S(=O)(NC1CCN(Cc2ccccc2)C1)c1cccc2ccccc12.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)naphthalene-1-sulfonamide?
The InChIKey is CWHYWRDZLWTWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c24-26(25,21-12-6-10-18-9-4-5-11-20(18)21)22-19-13-14-23(16-19)15-17-7-2-1-3-8-17/h1-12,19,22H,13-16H2.
What are the key properties of N-(1-benzylpyrrolidin-3-yl)naphthalene-1-sulfonamide?
N-(1-benzylpyrrolidin-3-yl)naphthalene-1-sulfonamide has a molecular weight of 366.49 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrrolidin-3-yl)naphthalene-1-sulfonamide is sourced from PubChem (CID 3791981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).