4-methoxy-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide

C16H19N3O3S — CID 90621518

IUPAC4-methoxy-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCN(c3ccccn3)C2)cc1
InChIInChI=1S/C16H19N3O3S/c1-22-14-5-7-15(8-6-14)23(20,21)18-13-9-11-19(12-13)16-4-2-3-10-17-16/h2-8,10,13,18H,9,11-12H2,1H3
InChIKeyUYQKKHRHBJMOOY-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.65
Rot. Bonds5

About 4-methoxy-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide

4-methoxy-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide (PubChem CID 90621518) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 4-methoxy-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
PubChem CID90621518
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name4-methoxy-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCN(c3ccccn3)C2)cc1
InChIInChI=1S/C16H19N3O3S/c1-22-14-5-7-15(8-6-14)23(20,21)18-13-9-11-19(12-13)16-4-2-3-10-17-16/h2-8,10,13,18H,9,11-12H2,1H3
InChIKeyUYQKKHRHBJMOOY-UHFFFAOYSA-N
XLogP1.65
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methoxy-N-(1-pyridin-2-ylpyrrolidin-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-(1-pyridin-2-ylpyrrolidin-3-yl)naphthalene-2-sulfonamide
CID 90621515
4-chloro-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 90621517
4-propan-2-yl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 90621471
3-fluoro-4-methoxy-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 90621475
4-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 110712586
N-(1-pyridin-2-ylpyrrolidin-3-yl)quinoline-3-sulfonamide
CID 119049752
4-(3-chlorophenyl)-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]benzenesulfonamide
CID 99875676
N-(1-pyridin-2-ylpyrrolidin-3-yl)cyclopropanesulfonamide
CID 90621445
N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]-4-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 99875681
2,4-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 90621458
N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]pyridine-3-sulfonamide
CID 124603595
2-fluoro-6-methyl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzenesulfonamide
CID 99822478

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide (CID 90621518) is 4-methoxy-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)NC2CCN(c3ccccn3)C2)cc1.
What is the InChIKey of 4-methoxy-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide?
The InChIKey is UYQKKHRHBJMOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-22-14-5-7-15(8-6-14)23(20,21)18-13-9-11-19(12-13)16-4-2-3-10-17-16/h2-8,10,13,18H,9,11-12H2,1H3.
What are the key properties of 4-methoxy-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide?
4-methoxy-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide has a molecular weight of 333.41 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 90621518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).