4-(3-pyridin-2-yloxypiperidin-1-yl)sulfonylaniline

C16H19N3O3S — CID 89245431

IUPAC4-(3-pyridin-2-yloxypiperidin-1-yl)sulfonylaniline
SMILESNc1ccc(S(=O)(=O)N2CCCC(Oc3ccccn3)C2)cc1
InChIInChI=1S/C16H19N3O3S/c17-13-6-8-15(9-7-13)23(20,21)19-11-3-4-14(12-19)22-16-5-1-2-10-18-16/h1-2,5-10,14H,3-4,11-12,17H2
InChIKeyDJSMXGYEVMHLPZ-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.90
Rot. Bonds4

About 4-(3-pyridin-2-yloxypiperidin-1-yl)sulfonylaniline

4-(3-pyridin-2-yloxypiperidin-1-yl)sulfonylaniline (PubChem CID 89245431) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 4-(3-pyridin-2-yloxypiperidin-1-yl)sulfonylaniline.

Molecular Properties

Compound Name4-(3-pyridin-2-yloxypiperidin-1-yl)sulfonylaniline
PubChem CID89245431
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name4-(3-pyridin-2-yloxypiperidin-1-yl)sulfonylaniline
SMILESNc1ccc(S(=O)(=O)N2CCCC(Oc3ccccn3)C2)cc1
InChIInChI=1S/C16H19N3O3S/c17-13-6-8-15(9-7-13)23(20,21)19-11-3-4-14(12-19)22-16-5-1-2-10-18-16/h1-2,5-10,14H,3-4,11-12,17H2
InChIKeyDJSMXGYEVMHLPZ-UHFFFAOYSA-N
XLogP1.90
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(3-pyridin-2-yloxypiperidin-1-yl)sulfonylaniline 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-[(3R)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 129416787
2-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]oxypyridine
CID 122247334
4-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122260064
2-[1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122257613
4-(1-naphthalen-2-ylsulfonylpiperidin-3-yl)oxypyrimidine
CID 122260073
4-[1-(benzenesulfonyl)piperidin-3-yl]oxy-2-methoxypyrimidine
CID 122261625
2-[4-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]sulfonylphenoxy]acetamide
CID 100648532
6-[(3S)-3-pyridin-2-yloxypyrrolidin-1-yl]sulfonyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
CID 129416823
2-[1-(benzenesulfonyl)pyrrolidin-3-yl]oxypyrazine
CID 90636351
2-methoxy-4-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122261630
2-(1-pyridin-3-ylsulfonylazetidin-3-yl)oxypyridine
CID 122247345
1-[4-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenyl]ethanone
CID 122261669

Frequently Asked Questions

What is the IUPAC name of 4-(3-pyridin-2-yloxypiperidin-1-yl)sulfonylaniline?
The IUPAC name of 4-(3-pyridin-2-yloxypiperidin-1-yl)sulfonylaniline (CID 89245431) is 4-(3-pyridin-2-yloxypiperidin-1-yl)sulfonylaniline.
What is the SMILES notation for 4-(3-pyridin-2-yloxypiperidin-1-yl)sulfonylaniline?
The canonical SMILES for 4-(3-pyridin-2-yloxypiperidin-1-yl)sulfonylaniline is Nc1ccc(S(=O)(=O)N2CCCC(Oc3ccccn3)C2)cc1.
What is the InChIKey of 4-(3-pyridin-2-yloxypiperidin-1-yl)sulfonylaniline?
The InChIKey is DJSMXGYEVMHLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c17-13-6-8-15(9-7-13)23(20,21)19-11-3-4-14(12-19)22-16-5-1-2-10-18-16/h1-2,5-10,14H,3-4,11-12,17H2.
What are the key properties of 4-(3-pyridin-2-yloxypiperidin-1-yl)sulfonylaniline?
4-(3-pyridin-2-yloxypiperidin-1-yl)sulfonylaniline has a molecular weight of 333.41 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-pyridin-2-yloxypiperidin-1-yl)sulfonylaniline is sourced from PubChem (CID 89245431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).