5-amino-N-(5-bromo-2-pyridinyl)-2,3-difluorobenzenesulfonamide

C11H8BrF2N3O2S — CID 65023326

IUPAC5-amino-N-(5-bromo-2-pyridinyl)-2,3-difluorobenzenesulfonamide
SMILESNc1cc(F)c(F)c(S(=O)(=O)Nc2ccc(Br)cn2)c1
InChIInChI=1S/C11H8BrF2N3O2S/c12-6-1-2-10(16-5-6)17-20(18,19)9-4-7(15)3-8(13)11(9)14/h1-5H,15H2,(H,16,17)
InChIKeyMYRMJJWJRWFKMT-UHFFFAOYSA-N
MW364.17 g/mol
LogP2.51
Rot. Bonds3

About 5-amino-N-(5-bromo-2-pyridinyl)-2,3-difluorobenzenesulfonamide

5-amino-N-(5-bromo-2-pyridinyl)-2,3-difluorobenzenesulfonamide (PubChem CID 65023326) has the molecular formula C11H8BrF2N3O2S and a molecular weight of 364.17 g/mol. Its IUPAC name is 5-amino-N-(5-bromo-2-pyridinyl)-2,3-difluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(5-bromo-2-pyridinyl)-2,3-difluorobenzenesulfonamide
PubChem CID65023326
Molecular FormulaC11H8BrF2N3O2S
Molecular Weight364.17 g/mol
Exact Mass362.95
IUPAC Name5-amino-N-(5-bromo-2-pyridinyl)-2,3-difluorobenzenesulfonamide
SMILESNc1cc(F)c(F)c(S(=O)(=O)Nc2ccc(Br)cn2)c1
InChIInChI=1S/C11H8BrF2N3O2S/c12-6-1-2-10(16-5-6)17-20(18,19)9-4-7(15)3-8(13)11(9)14/h1-5H,15H2,(H,16,17)
InChIKeyMYRMJJWJRWFKMT-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2,3-difluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 116786255
4-amino-N-(5-bromo-2-pyridinyl)-2-chlorobenzenesulfonamide
CID 43114331
2-amino-N-(5-bromo-2-pyridinyl)-4-chlorobenzenesulfonamide
CID 43114317
N-(5-amino-2-pyridinyl)-2,5-dibromobenzenesulfonamide
CID 43327262
3-amino-N-(5-bromo-2-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 79889062
4-amino-N-(5-bromo-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 43258667
N-(5-bromo-2-pyridinyl)-2-fluoro-4-(methylaminomethyl)benzenesulfonamide
CID 106020720
5-amino-N-(2-bromophenyl)-2,3-difluorobenzenesulfonamide
CID 65023507
N-(5-bromo-2-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
CID 60723562
5-amino-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 65481643
2,4-dibromo-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 63903663
3-amino-2-bromo-N-(5-bromo-2-pyridinyl)-5-chlorobenzenesulfonamide
CID 62955473

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(5-bromo-2-pyridinyl)-2,3-difluorobenzenesulfonamide?
The IUPAC name of 5-amino-N-(5-bromo-2-pyridinyl)-2,3-difluorobenzenesulfonamide (CID 65023326) is 5-amino-N-(5-bromo-2-pyridinyl)-2,3-difluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(5-bromo-2-pyridinyl)-2,3-difluorobenzenesulfonamide?
The canonical SMILES for 5-amino-N-(5-bromo-2-pyridinyl)-2,3-difluorobenzenesulfonamide is Nc1cc(F)c(F)c(S(=O)(=O)Nc2ccc(Br)cn2)c1.
What is the InChIKey of 5-amino-N-(5-bromo-2-pyridinyl)-2,3-difluorobenzenesulfonamide?
The InChIKey is MYRMJJWJRWFKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF2N3O2S/c12-6-1-2-10(16-5-6)17-20(18,19)9-4-7(15)3-8(13)11(9)14/h1-5H,15H2,(H,16,17).
What are the key properties of 5-amino-N-(5-bromo-2-pyridinyl)-2,3-difluorobenzenesulfonamide?
5-amino-N-(5-bromo-2-pyridinyl)-2,3-difluorobenzenesulfonamide 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 5-amino-N-(5-bromo-2-pyridinyl)-2,3-difluorobenzenesulfonamide is sourced from PubChem (CID 65023326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).