(4-aminophenyl)sulfonyl-pyridin-2-ylazanide;piperidin-1-ium

C16H22N4O2S — CID 139061231

IUPAC(4-aminophenyl)sulfonyl-pyridin-2-ylazanide;piperidin-1-ium
SMILESC1CC[NH2+]CC1.Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1
InChIInChI=1S/C11H10N3O2S.C5H11N/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11;1-2-4-6-5-3-1/h1-8H,12H2;6H,1-5H2/q-1;/p+1
InChIKeyOIVZPZOLDWGOHB-UHFFFAOYSA-O
MW334.44 g/mol
LogP1.79
Rot. Bonds3

About (4-aminophenyl)sulfonyl-pyridin-2-ylazanide;piperidin-1-ium

(4-aminophenyl)sulfonyl-pyridin-2-ylazanide;piperidin-1-ium (PubChem CID 139061231) has the molecular formula C16H22N4O2S and a molecular weight of 334.44 g/mol. Its IUPAC name is (4-aminophenyl)sulfonyl-pyridin-2-ylazanide;piperidin-1-ium.

Molecular Properties

Compound Name(4-aminophenyl)sulfonyl-pyridin-2-ylazanide;piperidin-1-ium
PubChem CID139061231
Molecular FormulaC16H22N4O2S
Molecular Weight334.44 g/mol
Exact Mass334.15
IUPAC Name(4-aminophenyl)sulfonyl-pyridin-2-ylazanide;piperidin-1-ium
SMILESC1CC[NH2+]CC1.Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1
InChIInChI=1S/C11H10N3O2S.C5H11N/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11;1-2-4-6-5-3-1/h1-8H,12H2;6H,1-5H2/q-1;/p+1
InChIKeyOIVZPZOLDWGOHB-UHFFFAOYSA-O
XLogP1.79
TPSA103.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4-aminophenyl)sulfonyl-pyridin-2-ylazanide;piperidin-1-ium 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

sodium benzenesulfonyl(pyridin-2-yl)azanide
CID 88642249
sodium (4-aminophenyl)sulfonyl-pyrimidin-2-ylazanide
CID 15899898
zinc;bis((4-aminophenyl)sulfonyl-pyrimidin-2-ylazanide);bis(ethane-1,2-diamine);trihydrate
CID 139068419
bis((4-aminophenyl)sulfonyl-(4-methylpyrimidin-2-yl)azanide);nickel(2+);hexakis(pyridine)
CID 139070427
zinc bis((4-aminophenyl)sulfonyl-(1,2-oxazol-3-yl)azanide)
CID 171040843
4-amino-N-pyridin-2-ylbenzenesulfonamide;hydrochloride
CID 68756822
4-amino-N-pyridin-2-ylbenzenesulfonamide;molecular nitrogen
CID 174728998
potassium (4-aminophenyl)sulfonyl-(3-chloropyrazin-2-yl)azanide
CID 155920271
silver 4-amino-N-pyrimidin-2-ylbenzenesulfonamide
CID 6711387
bis(4-amino-N-pyrimidin-2-ylbenzenesulfonamide) dichloride
CID 18407969
silver (4-aminophenyl)sulfonyl-(5-methyl-1,2-oxazol-3-yl)azanide
CID 4164477
copper;bis((4-aminophenyl)sulfonyl-(1,3-thiazol-2-yl)azanide);bis(1H-benzimidazole);methanol
CID 139063519

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)sulfonyl-pyridin-2-ylazanide;piperidin-1-ium?
The IUPAC name of (4-aminophenyl)sulfonyl-pyridin-2-ylazanide;piperidin-1-ium (CID 139061231) is (4-aminophenyl)sulfonyl-pyridin-2-ylazanide;piperidin-1-ium.
What is the SMILES notation for (4-aminophenyl)sulfonyl-pyridin-2-ylazanide;piperidin-1-ium?
The canonical SMILES for (4-aminophenyl)sulfonyl-pyridin-2-ylazanide;piperidin-1-ium is C1CC[NH2+]CC1.Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1.
What is the InChIKey of (4-aminophenyl)sulfonyl-pyridin-2-ylazanide;piperidin-1-ium?
The InChIKey is OIVZPZOLDWGOHB-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H10N3O2S.C5H11N/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11;1-2-4-6-5-3-1/h1-8H,12H2;6H,1-5H2/q-1;/p+1.
What are the key properties of (4-aminophenyl)sulfonyl-pyridin-2-ylazanide;piperidin-1-ium?
(4-aminophenyl)sulfonyl-pyridin-2-ylazanide;piperidin-1-ium has a molecular weight of 334.44 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)sulfonyl-pyridin-2-ylazanide;piperidin-1-ium is sourced from PubChem (CID 139061231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).