5-[2-(3-bromophenyl)pyrrolidine-1-carbonyl]-2-methoxy-N,N-dimethylbenzenesulfonamide

C20H23BrN2O4S — CID 55890354

IUPAC5-[2-(3-bromophenyl)pyrrolidine-1-carbonyl]-2-methoxy-N,N-dimethylbenzenesulfonamide
SMILESCOc1ccc(C(=O)N2CCCC2c2cccc(Br)c2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H23BrN2O4S/c1-22(2)28(25,26)19-13-15(9-10-18(19)27-3)20(24)23-11-5-8-17(23)14-6-4-7-16(21)12-14/h4,6-7,9-10,12-13,17H,5,8,11H2,1-3H3
InChIKeyRNWNPHYGBDVZII-UHFFFAOYSA-N
MW467.39 g/mol
LogP3.69
Rot. Bonds5

About 5-[2-(3-bromophenyl)pyrrolidine-1-carbonyl]-2-methoxy-N,N-dimethylbenzenesulfonamide

5-[2-(3-bromophenyl)pyrrolidine-1-carbonyl]-2-methoxy-N,N-dimethylbenzenesulfonamide (PubChem CID 55890354) has the molecular formula C20H23BrN2O4S and a molecular weight of 467.39 g/mol. Its IUPAC name is 5-[2-(3-bromophenyl)pyrrolidine-1-carbonyl]-2-methoxy-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-[2-(3-bromophenyl)pyrrolidine-1-carbonyl]-2-methoxy-N,N-dimethylbenzenesulfonamide
PubChem CID55890354
Molecular FormulaC20H23BrN2O4S
Molecular Weight467.39 g/mol
Exact Mass466.06
IUPAC Name5-[2-(3-bromophenyl)pyrrolidine-1-carbonyl]-2-methoxy-N,N-dimethylbenzenesulfonamide
SMILESCOc1ccc(C(=O)N2CCCC2c2cccc(Br)c2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H23BrN2O4S/c1-22(2)28(25,26)19-13-15(9-10-18(19)27-3)20(24)23-11-5-8-17(23)14-6-4-7-16(21)12-14/h4,6-7,9-10,12-13,17H,5,8,11H2,1-3H3
InChIKeyRNWNPHYGBDVZII-UHFFFAOYSA-N
XLogP3.69
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.39
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[2-(3-bromophenyl)pyrrolidine-1-carbonyl]-2-methoxy-N,N-dimethylbenzenesulfonamide 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

2-methoxy-N,N-dimethyl-5-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide
CID 55551505
[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 42202447
2-methoxy-N,N-dimethyl-5-(3-phenylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 60605685
(3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 18147684
(3-bromophenyl)-[(2R)-2-phenylpyrrolidin-1-yl]methanone
CID 41264423
N-methoxy-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide
CID 46699988
5-(5-bromo-2,3-dihydroindole-1-carbonyl)-2-methoxy-N,N-dimethylbenzenesulfonamide
CID 52770474
tert-butyl (2R)-2-(3-bromophenyl)pyrrolidine-1-carboxylate
CID 86332501
5-[2-(3-bromophenyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 60958795
[2-(3-bromophenyl)pyrrolidin-1-yl]-(2-ethoxy-4-pyridinyl)methanone
CID 86968098
1-[5-[2-(3-bromophenyl)pyrrolidine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone
CID 55888947
(2,6-dimethoxyphenyl)-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone
CID 50747261

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-bromophenyl)pyrrolidine-1-carbonyl]-2-methoxy-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 5-[2-(3-bromophenyl)pyrrolidine-1-carbonyl]-2-methoxy-N,N-dimethylbenzenesulfonamide (CID 55890354) is 5-[2-(3-bromophenyl)pyrrolidine-1-carbonyl]-2-methoxy-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-[2-(3-bromophenyl)pyrrolidine-1-carbonyl]-2-methoxy-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 5-[2-(3-bromophenyl)pyrrolidine-1-carbonyl]-2-methoxy-N,N-dimethylbenzenesulfonamide is COc1ccc(C(=O)N2CCCC2c2cccc(Br)c2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 5-[2-(3-bromophenyl)pyrrolidine-1-carbonyl]-2-methoxy-N,N-dimethylbenzenesulfonamide?
The InChIKey is RNWNPHYGBDVZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O4S/c1-22(2)28(25,26)19-13-15(9-10-18(19)27-3)20(24)23-11-5-8-17(23)14-6-4-7-16(21)12-14/h4,6-7,9-10,12-13,17H,5,8,11H2,1-3H3.
What are the key properties of 5-[2-(3-bromophenyl)pyrrolidine-1-carbonyl]-2-methoxy-N,N-dimethylbenzenesulfonamide?
5-[2-(3-bromophenyl)pyrrolidine-1-carbonyl]-2-methoxy-N,N-dimethylbenzenesulfonamide has a molecular weight of 467.39 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-bromophenyl)pyrrolidine-1-carbonyl]-2-methoxy-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 55890354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).