4-amino-N-(4-bromo-2,5-difluorophenyl)pyridine-3-sulfonamide

C11H8BrF2N3O2S — CID 107616471

IUPAC4-amino-N-(4-bromo-2,5-difluorophenyl)pyridine-3-sulfonamide
SMILESNc1ccncc1S(=O)(=O)Nc1cc(F)c(Br)cc1F
InChIInChI=1S/C11H8BrF2N3O2S/c12-6-3-8(14)10(4-7(6)13)17-20(18,19)11-5-16-2-1-9(11)15/h1-5,17H,(H2,15,16)
InChIKeyJMZRMTJAPLJUPF-UHFFFAOYSA-N
MW364.17 g/mol
LogP2.51
Rot. Bonds3

About 4-amino-N-(4-bromo-2,5-difluorophenyl)pyridine-3-sulfonamide

4-amino-N-(4-bromo-2,5-difluorophenyl)pyridine-3-sulfonamide (PubChem CID 107616471) has the molecular formula C11H8BrF2N3O2S and a molecular weight of 364.17 g/mol. Its IUPAC name is 4-amino-N-(4-bromo-2,5-difluorophenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name4-amino-N-(4-bromo-2,5-difluorophenyl)pyridine-3-sulfonamide
PubChem CID107616471
Molecular FormulaC11H8BrF2N3O2S
Molecular Weight364.17 g/mol
Exact Mass362.95
IUPAC Name4-amino-N-(4-bromo-2,5-difluorophenyl)pyridine-3-sulfonamide
SMILESNc1ccncc1S(=O)(=O)Nc1cc(F)c(Br)cc1F
InChIInChI=1S/C11H8BrF2N3O2S/c12-6-3-8(14)10(4-7(6)13)17-20(18,19)11-5-16-2-1-9(11)15/h1-5,17H,(H2,15,16)
InChIKeyJMZRMTJAPLJUPF-UHFFFAOYSA-N
XLogP2.51
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.17
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(2-bromo-5-fluorophenyl)pyridine-3-sulfonamide
CID 107630755
2-amino-5-bromo-N-(4-bromo-2,5-difluorophenyl)pyridine-3-sulfonamide
CID 103844082
4-amino-N-(4-bromo-2,5-difluorophenyl)pyridine-3-carboxamide
CID 107616547
4-amino-N-(4-bromo-2,3-dichlorophenyl)pyridine-3-sulfonamide
CID 107793247
5-amino-2-bromo-N-(4-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide
CID 83165731
4-amino-N-(2-chloro-4,6-difluorophenyl)pyridine-3-sulfonamide
CID 83087907
N-(3-amino-4-pyridinyl)-4-bromo-2-fluorobenzenesulfonamide
CID 116527254
4-amino-2,6-dibromo-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 107594699
4-amino-N-(3-bromo-4-pyridinyl)-3-fluorobenzenesulfonamide
CID 82844736
5-bromo-N-(4-bromo-2,5-difluorophenyl)thiophene-2-sulfonamide
CID 103844048
2-amino-5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzenesulfonamide
CID 107590884
5-amino-4-bromo-2-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 116529293

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-bromo-2,5-difluorophenyl)pyridine-3-sulfonamide?
The IUPAC name of 4-amino-N-(4-bromo-2,5-difluorophenyl)pyridine-3-sulfonamide (CID 107616471) is 4-amino-N-(4-bromo-2,5-difluorophenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 4-amino-N-(4-bromo-2,5-difluorophenyl)pyridine-3-sulfonamide?
The canonical SMILES for 4-amino-N-(4-bromo-2,5-difluorophenyl)pyridine-3-sulfonamide is Nc1ccncc1S(=O)(=O)Nc1cc(F)c(Br)cc1F.
What is the InChIKey of 4-amino-N-(4-bromo-2,5-difluorophenyl)pyridine-3-sulfonamide?
The InChIKey is JMZRMTJAPLJUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF2N3O2S/c12-6-3-8(14)10(4-7(6)13)17-20(18,19)11-5-16-2-1-9(11)15/h1-5,17H,(H2,15,16).
What are the key properties of 4-amino-N-(4-bromo-2,5-difluorophenyl)pyridine-3-sulfonamide?
4-amino-N-(4-bromo-2,5-difluorophenyl)pyridine-3-sulfonamide has a molecular weight of 364.17 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-bromo-2,5-difluorophenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 107616471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).