N-(1-benzylpyrrolidin-3-yl)-2-bromobenzenesulfonamide

C17H19BrN2O2S — CID 5147376

IUPACN-(1-benzylpyrrolidin-3-yl)-2-bromobenzenesulfonamide
SMILESO=S(=O)(NC1CCN(Cc2ccccc2)C1)c1ccccc1Br
InChIInChI=1S/C17H19BrN2O2S/c18-16-8-4-5-9-17(16)23(21,22)19-15-10-11-20(13-15)12-14-6-2-1-3-7-14/h1-9,15,19H,10-13H2
InChIKeyUCXFLBRJAAHEQQ-UHFFFAOYSA-N
MW395.32 g/mol
LogP3.00
Rot. Bonds5

About N-(1-benzylpyrrolidin-3-yl)-2-bromobenzenesulfonamide

N-(1-benzylpyrrolidin-3-yl)-2-bromobenzenesulfonamide (PubChem CID 5147376) has the molecular formula C17H19BrN2O2S and a molecular weight of 395.32 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)-2-bromobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)-2-bromobenzenesulfonamide
PubChem CID5147376
Molecular FormulaC17H19BrN2O2S
Molecular Weight395.32 g/mol
Exact Mass394.04
IUPAC NameN-(1-benzylpyrrolidin-3-yl)-2-bromobenzenesulfonamide
SMILESO=S(=O)(NC1CCN(Cc2ccccc2)C1)c1ccccc1Br
InChIInChI=1S/C17H19BrN2O2S/c18-16-8-4-5-9-17(16)23(21,22)19-15-10-11-20(13-15)12-14-6-2-1-3-7-14/h1-9,15,19H,10-13H2
InChIKeyUCXFLBRJAAHEQQ-UHFFFAOYSA-N
XLogP3.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-bromobenzenesulfonamide
CID 40562452
N-(1-benzylpyrrolidin-3-yl)naphthalene-1-sulfonamide
CID 3791981
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-[(3S)-1-benzylpyrrolidin-3-yl]-1,3-dimethylpyrazole-4-sulfonamide
CID 51499712
N-(1-benzylpyrrolidin-3-yl)-4-iodobenzenesulfonamide;hydrochloride
CID 53421091
N-(1-benzylpiperidin-4-yl)-2-bromo-6-chlorobenzenesulfonamide
CID 114269373
N-(1-benzylpiperidin-4-yl)-2-methoxybenzenesulfonamide
CID 51169998
N-(1-benzylpiperidin-4-yl)-2-nitrobenzenesulfonamide;hydrochloride
CID 18197763
4-[(1-benzylpyrrolidin-3-yl)sulfamoyl]-2-chlorobenzoic acid
CID 113437746
4-chloro-N-[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]pyridine-3-sulfonamide
CID 130225238

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)-2-bromobenzenesulfonamide?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)-2-bromobenzenesulfonamide (CID 5147376) is N-(1-benzylpyrrolidin-3-yl)-2-bromobenzenesulfonamide.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)-2-bromobenzenesulfonamide?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)-2-bromobenzenesulfonamide is O=S(=O)(NC1CCN(Cc2ccccc2)C1)c1ccccc1Br.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)-2-bromobenzenesulfonamide?
The InChIKey is UCXFLBRJAAHEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O2S/c18-16-8-4-5-9-17(16)23(21,22)19-15-10-11-20(13-15)12-14-6-2-1-3-7-14/h1-9,15,19H,10-13H2.
What are the key properties of N-(1-benzylpyrrolidin-3-yl)-2-bromobenzenesulfonamide?
N-(1-benzylpyrrolidin-3-yl)-2-bromobenzenesulfonamide has a molecular weight of 395.32 g/mol, XLogP of 3.00, 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)-2-bromobenzenesulfonamide is sourced from PubChem (CID 5147376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).