N-(6-amino-3-pyridinyl)-2-bromo-4-fluorobenzenesulfonamide

C11H9BrFN3O2S — CID 60824210

IUPACN-(6-amino-3-pyridinyl)-2-bromo-4-fluorobenzenesulfonamide
SMILESNc1ccc(NS(=O)(=O)c2ccc(F)cc2Br)cn1
InChIInChI=1S/C11H9BrFN3O2S/c12-9-5-7(13)1-3-10(9)19(17,18)16-8-2-4-11(14)15-6-8/h1-6,16H,(H2,14,15)
InChIKeyYQUAVTRKHJRGDB-UHFFFAOYSA-N
MW346.18 g/mol
LogP2.37
Rot. Bonds3

About N-(6-amino-3-pyridinyl)-2-bromo-4-fluorobenzenesulfonamide

N-(6-amino-3-pyridinyl)-2-bromo-4-fluorobenzenesulfonamide (PubChem CID 60824210) has the molecular formula C11H9BrFN3O2S and a molecular weight of 346.18 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-2-bromo-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-2-bromo-4-fluorobenzenesulfonamide
PubChem CID60824210
Molecular FormulaC11H9BrFN3O2S
Molecular Weight346.18 g/mol
Exact Mass344.96
IUPAC NameN-(6-amino-3-pyridinyl)-2-bromo-4-fluorobenzenesulfonamide
SMILESNc1ccc(NS(=O)(=O)c2ccc(F)cc2Br)cn1
InChIInChI=1S/C11H9BrFN3O2S/c12-9-5-7(13)1-3-10(9)19(17,18)16-8-2-4-11(14)15-6-8/h1-6,16H,(H2,14,15)
InChIKeyYQUAVTRKHJRGDB-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

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Related Compounds

N-(6-amino-3-pyridinyl)-2,4-dibromobenzenesulfonamide
CID 60824053
2-bromo-4-fluoro-N-(4-iodophenyl)benzenesulfonamide
CID 47203987
2-bromo-4-fluoro-N-pyridin-4-ylbenzenesulfonamide
CID 60823438
N-(6-amino-3-pyridinyl)-3,5-difluorobenzenesulfonamide
CID 60791459
2-bromo-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 47257466
2-bromo-4-fluoro-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 78955831
N-(6-amino-3-pyridinyl)-5-bromo-2-methylbenzenesulfonamide
CID 60792229
2-bromo-4-fluoro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62811743
2-bromo-4-fluoro-N-(1H-indazol-5-yl)benzenesulfonamide
CID 61061401
N-(6-amino-3-pyridinyl)-3-bromo-4-chlorobenzenesulfonamide
CID 106606554
4-[(2-bromo-4-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid
CID 63650957
2-bromo-4-fluoro-N-thiophen-3-ylbenzenesulfonamide
CID 66355037

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-2-bromo-4-fluorobenzenesulfonamide?
The IUPAC name of N-(6-amino-3-pyridinyl)-2-bromo-4-fluorobenzenesulfonamide (CID 60824210) is N-(6-amino-3-pyridinyl)-2-bromo-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-2-bromo-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(6-amino-3-pyridinyl)-2-bromo-4-fluorobenzenesulfonamide is Nc1ccc(NS(=O)(=O)c2ccc(F)cc2Br)cn1.
What is the InChIKey of N-(6-amino-3-pyridinyl)-2-bromo-4-fluorobenzenesulfonamide?
The InChIKey is YQUAVTRKHJRGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3O2S/c12-9-5-7(13)1-3-10(9)19(17,18)16-8-2-4-11(14)15-6-8/h1-6,16H,(H2,14,15).
What are the key properties of N-(6-amino-3-pyridinyl)-2-bromo-4-fluorobenzenesulfonamide?
N-(6-amino-3-pyridinyl)-2-bromo-4-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-(6-amino-3-pyridinyl)-2-bromo-4-fluorobenzenesulfonamide is sourced from PubChem (CID 60824210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).