Basic information
- CAS
231286-79-6- Standard SMILES
Nc1ccc(S(=O)(=O)c2cc(Br)nc(N3CCCC3)c2)cc1- InChIKey
WDFMDNUTOSLOPW-UHFFFAOYSA-N- Molecular formula
- C15H16BrN3O2S
- Average molar mass
- 382.3 g/mol
Overview
a 5-HT6 receptor antagonist; structure in first source
Names & identifiers
- Preferred name
- 4-(2-Bromo-6-pyrrolidin-1-ylpyridine-4-sulfonyl)phenylamine
- IUPAC
- 4-[(2-bromo-6-pyrrolidin-1-yl-4-pyridinyl)sulfonyl]aniline
Names & synonyms
4-BrPPSO2-phenylamine4-(2-bromo-6-pyrrolidin-1-ylpyridine-4-sulfonyl)phenylamine231286-79-6RefChem:9120724-(2-bromo-6-pyrrolidin-1-yl-pyridine-4-sulfonyl)phenylamineRo 66-0074CHEMBL230384-(2-Bromo-6-pyrrolidin-1-yl-pyridine-4-sulfonyl)-phenylamineRO-66-0074SCHEMBL782195SCHEMBL305163974-(2-bromo-6-pyrrolidin-1-ylpyridin-4-yl)sulfonylaniline
Show more names
WDFMDNUTOSLOPW-UHFFFAOYSA-NBDBM50228649DB-1064184-(2-bromo-6-(pyrrolidin-1-yl)pyridin-4-ylsulfonyl)benzenamine4-(2-Bromo-6-pyrrolidin-1-yl-pyridine-4-sulfonyl) -phenylamine4-(2-bromo-6-pyrrolidin-1-yl-pyridine-4-sulphonyl)- phenylamine4-(2-bromo-6-pyrrolidine-1-yl-pyridine-4-sulfonyl)-phenylamine
Database identifiers
- CAS
231286-79-6- PubChem CID
- 6918689
- ChEMBL
CHEMBL23038- Nikkaji
- J1.996.693C
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 468
Related reactions
35 records
Compound notes
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