N-(1-benzylpyrrolidin-3-yl)-4-iodobenzenesulfonamide;hydrochloride

C17H20ClIN2O2S — CID 53421091

IUPACN-(1-benzylpyrrolidin-3-yl)-4-iodobenzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(NC1CCN(Cc2ccccc2)C1)c1ccc(I)cc1
InChIInChI=1S/C17H19IN2O2S.ClH/c18-15-6-8-17(9-7-15)23(21,22)19-16-10-11-20(13-16)12-14-4-2-1-3-5-14;/h1-9,16,19H,10-13H2;1H
InChIKeySUVKXARBBZNQCH-UHFFFAOYSA-N
MW478.78 g/mol
LogP3.27
Rot. Bonds5

About N-(1-benzylpyrrolidin-3-yl)-4-iodobenzenesulfonamide;hydrochloride

N-(1-benzylpyrrolidin-3-yl)-4-iodobenzenesulfonamide;hydrochloride (PubChem CID 53421091) has the molecular formula C17H20ClIN2O2S and a molecular weight of 478.78 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)-4-iodobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)-4-iodobenzenesulfonamide;hydrochloride
PubChem CID53421091
Molecular FormulaC17H20ClIN2O2S
Molecular Weight478.78 g/mol
Exact Mass478.00
IUPAC NameN-(1-benzylpyrrolidin-3-yl)-4-iodobenzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(NC1CCN(Cc2ccccc2)C1)c1ccc(I)cc1
InChIInChI=1S/C17H19IN2O2S.ClH/c18-15-6-8-17(9-7-15)23(21,22)19-16-10-11-20(13-16)12-14-4-2-1-3-5-14;/h1-9,16,19H,10-13H2;1H
InChIKeySUVKXARBBZNQCH-UHFFFAOYSA-N
XLogP3.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.78
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

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
4-[(1-benzylpyrrolidin-3-yl)sulfamoyl]-2-chlorobenzoic acid
CID 113437746
N-(1-benzylpiperidin-4-yl)-4-nitrobenzenesulfonamide;hydrochloride
CID 46823353
N-[(3R)-1-benzylpyrrolidin-3-yl]-6-(dimethylamino)pyridine-3-sulfonamide
CID 166097329
N-(1-benzylpyrrolidin-3-yl)-2-bromobenzenesulfonamide
CID 5147376
4-acetyl-N-(1-benzylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 42913092
N-(1-benzylpyrrolidin-3-yl)naphthalene-1-sulfonamide
CID 3791981
N-(1-benzylazetidin-3-yl)-4-methylbenzenesulfonamide
CID 11324550
N-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]pyrrolidin-3-yl]benzenesulfonamide
CID 25042421
N-[[4-[(1-benzylpiperidin-4-yl)sulfamoyl]phenyl]methyl]acetamide;hydrochloride
CID 42913093

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)-4-iodobenzenesulfonamide;hydrochloride?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)-4-iodobenzenesulfonamide;hydrochloride (CID 53421091) is N-(1-benzylpyrrolidin-3-yl)-4-iodobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)-4-iodobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)-4-iodobenzenesulfonamide;hydrochloride is Cl.O=S(=O)(NC1CCN(Cc2ccccc2)C1)c1ccc(I)cc1.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)-4-iodobenzenesulfonamide;hydrochloride?
The InChIKey is SUVKXARBBZNQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19IN2O2S.ClH/c18-15-6-8-17(9-7-15)23(21,22)19-16-10-11-20(13-16)12-14-4-2-1-3-5-14;/h1-9,16,19H,10-13H2;1H.
What are the key properties of N-(1-benzylpyrrolidin-3-yl)-4-iodobenzenesulfonamide;hydrochloride?
N-(1-benzylpyrrolidin-3-yl)-4-iodobenzenesulfonamide;hydrochloride has a molecular weight of 478.78 g/mol, XLogP of 3.27, 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)-4-iodobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 53421091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).