2-amino-5-bromo-N-(4-fluoro-2-methylphenyl)pyridine-3-sulfonamide

C12H11BrFN3O2S — CID 6623803

IUPAC2-amino-5-bromo-N-(4-fluoro-2-methylphenyl)pyridine-3-sulfonamide
SMILESCc1cc(F)ccc1NS(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C12H11BrFN3O2S/c1-7-4-9(14)2-3-10(7)17-20(18,19)11-5-8(13)6-16-12(11)15/h2-6,17H,1H3,(H2,15,16)
InChIKeyDUQSYUPWLCHYDD-UHFFFAOYSA-N
MW360.21 g/mol
LogP2.67
Rot. Bonds3

About 2-amino-5-bromo-N-(4-fluoro-2-methylphenyl)pyridine-3-sulfonamide

2-amino-5-bromo-N-(4-fluoro-2-methylphenyl)pyridine-3-sulfonamide (PubChem CID 6623803) has the molecular formula C12H11BrFN3O2S and a molecular weight of 360.21 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(4-fluoro-2-methylphenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(4-fluoro-2-methylphenyl)pyridine-3-sulfonamide
PubChem CID6623803
Molecular FormulaC12H11BrFN3O2S
Molecular Weight360.21 g/mol
Exact Mass358.97
IUPAC Name2-amino-5-bromo-N-(4-fluoro-2-methylphenyl)pyridine-3-sulfonamide
SMILESCc1cc(F)ccc1NS(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C12H11BrFN3O2S/c1-7-4-9(14)2-3-10(7)17-20(18,19)11-5-8(13)6-16-12(11)15/h2-6,17H,1H3,(H2,15,16)
InChIKeyDUQSYUPWLCHYDD-UHFFFAOYSA-N
XLogP2.67
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.21
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(4-fluoro-2-methylphenyl)pyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-bromo-N-(4-fluoro-2-methylphenyl)pyridine-3-sulfonamide (CID 6623803) is 2-amino-5-bromo-N-(4-fluoro-2-methylphenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-(4-fluoro-2-methylphenyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-(4-fluoro-2-methylphenyl)pyridine-3-sulfonamide is Cc1cc(F)ccc1NS(=O)(=O)c1cc(Br)cnc1N.
What is the InChIKey of 2-amino-5-bromo-N-(4-fluoro-2-methylphenyl)pyridine-3-sulfonamide?
The InChIKey is DUQSYUPWLCHYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3O2S/c1-7-4-9(14)2-3-10(7)17-20(18,19)11-5-8(13)6-16-12(11)15/h2-6,17H,1H3,(H2,15,16).
What are the key properties of 2-amino-5-bromo-N-(4-fluoro-2-methylphenyl)pyridine-3-sulfonamide?
2-amino-5-bromo-N-(4-fluoro-2-methylphenyl)pyridine-3-sulfonamide has a molecular weight of 360.21 g/mol, XLogP of 2.67, 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-fluoro-2-methylphenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 6623803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).