4-amino-N-pyridin-2-ylbenzenesulfonamide

C11H11N3O2S — CID 5336

💊View drug profile → sulfapyridine
IUPAC4-amino-N-pyridin-2-ylbenzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ccccn2)cc1
InChIInChI=1S/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,12H2,(H,13,14)
InChIKeyGECHUMIMRBOMGK-UHFFFAOYSA-N
MW249.30 g/mol
LogP1.46
Rot. Bonds3

About 4-amino-N-pyridin-2-ylbenzenesulfonamide

4-amino-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 5336) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is 4-amino-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-pyridin-2-ylbenzenesulfonamide
PubChem CID5336
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Name4-amino-N-pyridin-2-ylbenzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ccccn2)cc1
InChIInChI=1S/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,12H2,(H,13,14)
InChIKeyGECHUMIMRBOMGK-UHFFFAOYSA-N
XLogP1.46
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Sulfadiazine
CID 5215
Sulfamerazine
CID 5325
Sulfaquinoxaline
CID 5338
Silver Sulfadiazine
CID 441244
Sulfaperin
CID 68933
Acetylsulfadiazine
CID 64952
Sulfadiazine Sodium
CID 15899898
Acetylsulfapyridine
CID 58638
Sulfaquinoxaline Sodium
CID 3693427
Sulfamerazine Sodium
CID 15899899
1-Phenyl-3-(2-pyridyl)thiourea
CID 701009
Sulfaclozine
CID 66890

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of 4-amino-N-pyridin-2-ylbenzenesulfonamide (CID 5336) is 4-amino-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-pyridin-2-ylbenzenesulfonamide is Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1.
What is the InChIKey of 4-amino-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is GECHUMIMRBOMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,12H2,(H,13,14).
What are the key properties of 4-amino-N-pyridin-2-ylbenzenesulfonamide?
4-amino-N-pyridin-2-ylbenzenesulfonamide has a molecular weight of 249.30 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-pyridin-2-ylbenzenesulfonamide is sourced from PubChem (CID 5336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).