N-(1-benzylpyrrolidin-3-yl)benzenesulfonamide

C17H20N2O2S — CID 51169833

IUPACN-(1-benzylpyrrolidin-3-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCN(Cc2ccccc2)C1)c1ccccc1
InChIInChI=1S/C17H20N2O2S/c20-22(21,17-9-5-2-6-10-17)18-16-11-12-19(14-16)13-15-7-3-1-4-8-15/h1-10,16,18H,11-14H2
InChIKeyUJKDZBKRDHSHFT-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.24
Rot. Bonds5

About N-(1-benzylpyrrolidin-3-yl)benzenesulfonamide

N-(1-benzylpyrrolidin-3-yl)benzenesulfonamide (PubChem CID 51169833) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)benzenesulfonamide
PubChem CID51169833
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN-(1-benzylpyrrolidin-3-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCN(Cc2ccccc2)C1)c1ccccc1
InChIInChI=1S/C17H20N2O2S/c20-22(21,17-9-5-2-6-10-17)18-16-11-12-19(14-16)13-15-7-3-1-4-8-15/h1-10,16,18H,11-14H2
InChIKeyUJKDZBKRDHSHFT-UHFFFAOYSA-N
XLogP2.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-benzylpyrrolidin-3-yl)benzenesulfonamide 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-[(3S)-1-benzylpyrrolidin-3-yl]-4-bromobenzenesulfonamide
CID 40783049
N-(1-benzylpyrrolidin-3-yl)-4-iodobenzenesulfonamide;hydrochloride
CID 53421091
3-N-(1-benzylpyrrolidin-3-yl)benzene-1,3-disulfonamide
CID 55512031
N-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]pyrrolidin-3-yl]benzenesulfonamide
CID 25042421
N-(1-benzylpyrrolidin-3-yl)-2-bromobenzenesulfonamide
CID 5147376
4-[(1-benzylpyrrolidin-3-yl)sulfamoyl]-2-chlorobenzoic acid
CID 113437746
N-(1-benzylpyrrolidin-3-yl)naphthalene-1-sulfonamide
CID 3791981
N-[(3R)-1-benzylpyrrolidin-3-yl]-6-(dimethylamino)pyridine-3-sulfonamide
CID 166097329
N-(1-benzylpiperidin-4-yl)-3-chlorobenzenesulfonamide;hydrochloride
CID 18197766
N-(1-benzylazetidin-3-yl)-4-methylbenzenesulfonamide
CID 11324550
N-(1-benzylpiperidin-4-yl)-4-nitrobenzenesulfonamide;hydrochloride
CID 46823353
N-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzenesulfonamide
CID 95708462

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)benzenesulfonamide?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)benzenesulfonamide (CID 51169833) is N-(1-benzylpyrrolidin-3-yl)benzenesulfonamide.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)benzenesulfonamide?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)benzenesulfonamide is O=S(=O)(NC1CCN(Cc2ccccc2)C1)c1ccccc1.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)benzenesulfonamide?
The InChIKey is UJKDZBKRDHSHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c20-22(21,17-9-5-2-6-10-17)18-16-11-12-19(14-16)13-15-7-3-1-4-8-15/h1-10,16,18H,11-14H2.
What are the key properties of N-(1-benzylpyrrolidin-3-yl)benzenesulfonamide?
N-(1-benzylpyrrolidin-3-yl)benzenesulfonamide has a molecular weight of 316.43 g/mol, XLogP of 2.24, 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)benzenesulfonamide is sourced from PubChem (CID 51169833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).