4-amino-N-(5-bromo-3-pyridinyl)benzenesulfonamide

C11H10BrN3O2S — CID 121223080

IUPAC4-amino-N-(5-bromo-3-pyridinyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2cncc(Br)c2)cc1
InChIInChI=1S/C11H10BrN3O2S/c12-8-5-10(7-14-6-8)15-18(16,17)11-3-1-9(13)2-4-11/h1-7,15H,13H2
InChIKeyJDFKAKUJPNWEEE-UHFFFAOYSA-N
MW328.19 g/mol
LogP2.23
Rot. Bonds3

About 4-amino-N-(5-bromo-3-pyridinyl)benzenesulfonamide

4-amino-N-(5-bromo-3-pyridinyl)benzenesulfonamide (PubChem CID 121223080) has the molecular formula C11H10BrN3O2S and a molecular weight of 328.19 g/mol. Its IUPAC name is 4-amino-N-(5-bromo-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(5-bromo-3-pyridinyl)benzenesulfonamide
PubChem CID121223080
Molecular FormulaC11H10BrN3O2S
Molecular Weight328.19 g/mol
Exact Mass326.97
IUPAC Name4-amino-N-(5-bromo-3-pyridinyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2cncc(Br)c2)cc1
InChIInChI=1S/C11H10BrN3O2S/c12-8-5-10(7-14-6-8)15-18(16,17)11-3-1-9(13)2-4-11/h1-7,15H,13H2
InChIKeyJDFKAKUJPNWEEE-UHFFFAOYSA-N
XLogP2.23
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.19
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-N-(5-bromo-3-pyridinyl)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-(5-bromo-3-pyridinyl)-4-methoxybenzenesulfonamide
CID 51354314
4-amino-3-bromo-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584526
4-amino-N-(4-bromo-3-fluorophenyl)benzenesulfonamide
CID 50998348
4-hydroxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107585953
4-amino-N-[4-(4-aminophenyl)sulfonylphenyl]benzenesulfonamide
CID 13052807
4-amino-N-(6-aminopyrazin-2-yl)benzenesulfonamide
CID 12626415
5-amino-2-bromo-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584553
N-(5-bromo-3-pyridinyl)-1,1-difluoromethanesulfonamide
CID 130487015
N-(5-bromo-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
CID 110869047
4-amino-N-(3,4-difluorophenyl)benzenesulfonamide
CID 16790684
N-[2-(4-aminophenyl)ethyl]-5-bromopyridin-3-amine
CID 114194215
3-amino-4-methoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584520

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-bromo-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(5-bromo-3-pyridinyl)benzenesulfonamide (CID 121223080) is 4-amino-N-(5-bromo-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(5-bromo-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(5-bromo-3-pyridinyl)benzenesulfonamide is Nc1ccc(S(=O)(=O)Nc2cncc(Br)c2)cc1.
What is the InChIKey of 4-amino-N-(5-bromo-3-pyridinyl)benzenesulfonamide?
The InChIKey is JDFKAKUJPNWEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O2S/c12-8-5-10(7-14-6-8)15-18(16,17)11-3-1-9(13)2-4-11/h1-7,15H,13H2.
What are the key properties of 4-amino-N-(5-bromo-3-pyridinyl)benzenesulfonamide?
4-amino-N-(5-bromo-3-pyridinyl)benzenesulfonamide has a molecular weight of 328.19 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-bromo-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 121223080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).