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

C11H7Br2F2N3O2S — CID 103844082

IUPAC2-amino-5-bromo-N-(4-bromo-2,5-difluorophenyl)pyridine-3-sulfonamide
SMILESNc1ncc(Br)cc1S(=O)(=O)Nc1cc(F)c(Br)cc1F
InChIInChI=1S/C11H7Br2F2N3O2S/c12-5-1-10(11(16)17-4-5)21(19,20)18-9-3-7(14)6(13)2-8(9)15/h1-4,18H,(H2,16,17)
InChIKeyXAAPQUZRUCEMOY-UHFFFAOYSA-N
MW443.07 g/mol
LogP3.27
Rot. Bonds3

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

2-amino-5-bromo-N-(4-bromo-2,5-difluorophenyl)pyridine-3-sulfonamide (PubChem CID 103844082) has the molecular formula C11H7Br2F2N3O2S and a molecular weight of 443.07 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(4-bromo-2,5-difluorophenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(4-bromo-2,5-difluorophenyl)pyridine-3-sulfonamide
PubChem CID103844082
Molecular FormulaC11H7Br2F2N3O2S
Molecular Weight443.07 g/mol
Exact Mass440.86
IUPAC Name2-amino-5-bromo-N-(4-bromo-2,5-difluorophenyl)pyridine-3-sulfonamide
SMILESNc1ncc(Br)cc1S(=O)(=O)Nc1cc(F)c(Br)cc1F
InChIInChI=1S/C11H7Br2F2N3O2S/c12-5-1-10(11(16)17-4-5)21(19,20)18-9-3-7(14)6(13)2-8(9)15/h1-4,18H,(H2,16,17)
InChIKeyXAAPQUZRUCEMOY-UHFFFAOYSA-N
XLogP3.27
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.07
LogP ≤ 53.27
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

2-amino-5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)pyridine-3-sulfonamide
CID 107593897
2-amino-5-bromo-N-(2-fluoro-4-methylphenyl)pyridine-3-sulfonamide
CID 62162619
2-amino-5-bromo-N-(3,4,5-trifluorophenyl)pyridine-3-sulfonamide
CID 62813648
2-amino-5-bromo-N-(5-fluoro-2-methylphenyl)pyridine-3-sulfonamide
CID 62143669
4-amino-N-(4-bromo-2,5-difluorophenyl)pyridine-3-sulfonamide
CID 107616471
2-amino-5-bromo-N-(2-methylsulfanylphenyl)pyridine-3-sulfonamide
CID 103766525
2-amino-5-bromo-N-(2-bromo-5-chloro-4-methylphenyl)pyridine-3-sulfonamide
CID 104725117
2-amino-5-bromo-N-(2,4-dimethoxyphenyl)pyridine-3-sulfonamide
CID 22515844
2-amino-5-bromo-N-(4-bromo-2,6-dimethylphenyl)pyridine-3-sulfonamide
CID 62163149
2-amino-5-bromo-N-(2-chloro-4-methylphenyl)pyridine-3-sulfonamide
CID 22515878
2-amino-5-bromo-N-(2,6-dimethylphenyl)pyridine-3-sulfonamide
CID 22515848
5-bromo-N-(4-bromo-2,5-difluorophenyl)thiophene-2-sulfonamide
CID 103844048

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(4-bromo-2,5-difluorophenyl)pyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-bromo-N-(4-bromo-2,5-difluorophenyl)pyridine-3-sulfonamide (CID 103844082) is 2-amino-5-bromo-N-(4-bromo-2,5-difluorophenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-(4-bromo-2,5-difluorophenyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-(4-bromo-2,5-difluorophenyl)pyridine-3-sulfonamide is Nc1ncc(Br)cc1S(=O)(=O)Nc1cc(F)c(Br)cc1F.
What is the InChIKey of 2-amino-5-bromo-N-(4-bromo-2,5-difluorophenyl)pyridine-3-sulfonamide?
The InChIKey is XAAPQUZRUCEMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2F2N3O2S/c12-5-1-10(11(16)17-4-5)21(19,20)18-9-3-7(14)6(13)2-8(9)15/h1-4,18H,(H2,16,17).
What are the key properties of 2-amino-5-bromo-N-(4-bromo-2,5-difluorophenyl)pyridine-3-sulfonamide?
2-amino-5-bromo-N-(4-bromo-2,5-difluorophenyl)pyridine-3-sulfonamide has a molecular weight of 443.07 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(4-bromo-2,5-difluorophenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 103844082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).