4-amino-N-(5-bromo-2-pyridinyl)-2-chlorobenzenesulfonamide

C11H9BrClN3O2S — CID 43114331

IUPAC4-amino-N-(5-bromo-2-pyridinyl)-2-chlorobenzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ccc(Br)cn2)c(Cl)c1
InChIInChI=1S/C11H9BrClN3O2S/c12-7-1-4-11(15-6-7)16-19(17,18)10-3-2-8(14)5-9(10)13/h1-6H,14H2,(H,15,16)
InChIKeyZBZGHZIJSUQHNW-UHFFFAOYSA-N
MW362.64 g/mol
LogP2.88
Rot. Bonds3

About 4-amino-N-(5-bromo-2-pyridinyl)-2-chlorobenzenesulfonamide

4-amino-N-(5-bromo-2-pyridinyl)-2-chlorobenzenesulfonamide (PubChem CID 43114331) has the molecular formula C11H9BrClN3O2S and a molecular weight of 362.64 g/mol. Its IUPAC name is 4-amino-N-(5-bromo-2-pyridinyl)-2-chlorobenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(5-bromo-2-pyridinyl)-2-chlorobenzenesulfonamide
PubChem CID43114331
Molecular FormulaC11H9BrClN3O2S
Molecular Weight362.64 g/mol
Exact Mass360.93
IUPAC Name4-amino-N-(5-bromo-2-pyridinyl)-2-chlorobenzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ccc(Br)cn2)c(Cl)c1
InChIInChI=1S/C11H9BrClN3O2S/c12-7-1-4-11(15-6-7)16-19(17,18)10-3-2-8(14)5-9(10)13/h1-6H,14H2,(H,15,16)
InChIKeyZBZGHZIJSUQHNW-UHFFFAOYSA-N
XLogP2.88
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.64
LogP ≤ 52.88
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-2-pyridinyl)-2-chlorobenzenesulfonamide 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

4-amino-N-(5-bromo-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 43258667
2-amino-N-(5-bromo-2-pyridinyl)-4-chlorobenzenesulfonamide
CID 43114317
3-amino-2-bromo-N-(5-bromo-2-pyridinyl)-5-chlorobenzenesulfonamide
CID 62955473
N-(5-bromo-2-pyridinyl)-4-chloro-2,5-dimethylbenzenesulfonamide
CID 19683219
N-(5-amino-2-pyridinyl)-4-bromo-2,6-dichlorobenzenesulfonamide
CID 43327264
N-(5-amino-2-pyridinyl)-2,5-dibromobenzenesulfonamide
CID 43327262
5-amino-N-(5-bromo-2-pyridinyl)-2,3-difluorobenzenesulfonamide
CID 65023326
5-amino-2-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 29276222
3-amino-4-[(5-bromo-2-pyridinyl)sulfamoyl]benzoic acid
CID 81465963
4-amino-2-chloro-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 55131833
3-amino-N-(5-bromo-2-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 79889062
N-(5-bromo-2-pyridinyl)-2-chloro-5-nitrobenzenesulfonamide
CID 43389509

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-bromo-2-pyridinyl)-2-chlorobenzenesulfonamide?
The IUPAC name of 4-amino-N-(5-bromo-2-pyridinyl)-2-chlorobenzenesulfonamide (CID 43114331) is 4-amino-N-(5-bromo-2-pyridinyl)-2-chlorobenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(5-bromo-2-pyridinyl)-2-chlorobenzenesulfonamide?
The canonical SMILES for 4-amino-N-(5-bromo-2-pyridinyl)-2-chlorobenzenesulfonamide is Nc1ccc(S(=O)(=O)Nc2ccc(Br)cn2)c(Cl)c1.
What is the InChIKey of 4-amino-N-(5-bromo-2-pyridinyl)-2-chlorobenzenesulfonamide?
The InChIKey is ZBZGHZIJSUQHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClN3O2S/c12-7-1-4-11(15-6-7)16-19(17,18)10-3-2-8(14)5-9(10)13/h1-6H,14H2,(H,15,16).
What are the key properties of 4-amino-N-(5-bromo-2-pyridinyl)-2-chlorobenzenesulfonamide?
4-amino-N-(5-bromo-2-pyridinyl)-2-chlorobenzenesulfonamide has a molecular weight of 362.64 g/mol, XLogP of 2.88, 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-2-pyridinyl)-2-chlorobenzenesulfonamide is sourced from PubChem (CID 43114331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).