N-(3-amino-4-pyridinyl)-4-bromo-2-fluorobenzenesulfonamide

C11H9BrFN3O2S — CID 116527254

IUPACN-(3-amino-4-pyridinyl)-4-bromo-2-fluorobenzenesulfonamide
SMILESNc1cnccc1NS(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C11H9BrFN3O2S/c12-7-1-2-11(8(13)5-7)19(17,18)16-10-3-4-15-6-9(10)14/h1-6H,14H2,(H,15,16)
InChIKeyQPOFXGKVMMCTFX-UHFFFAOYSA-N
MW346.18 g/mol
LogP2.37
Rot. Bonds3

About N-(3-amino-4-pyridinyl)-4-bromo-2-fluorobenzenesulfonamide

N-(3-amino-4-pyridinyl)-4-bromo-2-fluorobenzenesulfonamide (PubChem CID 116527254) has the molecular formula C11H9BrFN3O2S and a molecular weight of 346.18 g/mol. Its IUPAC name is N-(3-amino-4-pyridinyl)-4-bromo-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-4-pyridinyl)-4-bromo-2-fluorobenzenesulfonamide
PubChem CID116527254
Molecular FormulaC11H9BrFN3O2S
Molecular Weight346.18 g/mol
Exact Mass344.96
IUPAC NameN-(3-amino-4-pyridinyl)-4-bromo-2-fluorobenzenesulfonamide
SMILESNc1cnccc1NS(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C11H9BrFN3O2S/c12-7-1-2-11(8(13)5-7)19(17,18)16-10-3-4-15-6-9(10)14/h1-6H,14H2,(H,15,16)
InChIKeyQPOFXGKVMMCTFX-UHFFFAOYSA-N
XLogP2.37
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-amino-4-pyridinyl)-4-bromo-2-fluorobenzenesulfonamide 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-(3-amino-4-pyridinyl)-4-bromo-2-chlorobenzenesulfonamide
CID 63062265
N-(3-amino-4-pyridinyl)-4-bromobenzenesulfonamide
CID 63063291
N-(4-amino-2,5-dimethylphenyl)-4-bromo-2-fluorobenzenesulfonamide
CID 103144770
4-bromo-N-(3-fluoro-4-pyridinyl)-2-methylbenzenesulfonamide
CID 86796625
4-amino-2-fluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63667957
4-amino-2-fluoro-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 55201311
4-amino-N-(4-bromo-2,5-difluorophenyl)pyridine-3-sulfonamide
CID 107616471
N-(3-amino-4-pyridinyl)-3-fluoropyridine-2-sulfonamide
CID 103298603
3-amino-5-bromo-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 114379639
4-bromo-N-(5-chloro-2-fluorophenyl)-2-fluorobenzenesulfonamide
CID 116528139
4-bromo-N-(2-bromophenyl)-2-fluorobenzenesulfonamide
CID 97455644
N-(4-bromo-2-fluorophenyl)-2,4-difluorobenzenesulfonamide
CID 8500760

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-pyridinyl)-4-bromo-2-fluorobenzenesulfonamide?
The IUPAC name of N-(3-amino-4-pyridinyl)-4-bromo-2-fluorobenzenesulfonamide (CID 116527254) is N-(3-amino-4-pyridinyl)-4-bromo-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(3-amino-4-pyridinyl)-4-bromo-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(3-amino-4-pyridinyl)-4-bromo-2-fluorobenzenesulfonamide is Nc1cnccc1NS(=O)(=O)c1ccc(Br)cc1F.
What is the InChIKey of N-(3-amino-4-pyridinyl)-4-bromo-2-fluorobenzenesulfonamide?
The InChIKey is QPOFXGKVMMCTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3O2S/c12-7-1-2-11(8(13)5-7)19(17,18)16-10-3-4-15-6-9(10)14/h1-6H,14H2,(H,15,16).
What are the key properties of N-(3-amino-4-pyridinyl)-4-bromo-2-fluorobenzenesulfonamide?
N-(3-amino-4-pyridinyl)-4-bromo-2-fluorobenzenesulfonamide has a molecular weight of 346.18 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-pyridinyl)-4-bromo-2-fluorobenzenesulfonamide is sourced from PubChem (CID 116527254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).