2-amino-5-bromo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-sulfonamide

C8H9BrF3N3O3S — CID 66820206

IUPAC2-amino-5-bromo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-sulfonamide
SMILESNc1ncc(Br)cc1S(=O)(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C8H9BrF3N3O3S/c9-4-1-5(7(13)14-2-4)19(17,18)15-3-6(16)8(10,11)12/h1-2,6,15-16H,3H2,(H2,13,14)
InChIKeyCNSOQENBORFMHU-UHFFFAOYSA-N
MW364.14 g/mol
LogP0.63
Rot. Bonds4

About 2-amino-5-bromo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-sulfonamide

2-amino-5-bromo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-sulfonamide (PubChem CID 66820206) has the molecular formula C8H9BrF3N3O3S and a molecular weight of 364.14 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-sulfonamide
PubChem CID66820206
Molecular FormulaC8H9BrF3N3O3S
Molecular Weight364.14 g/mol
Exact Mass362.95
IUPAC Name2-amino-5-bromo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-sulfonamide
SMILESNc1ncc(Br)cc1S(=O)(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C8H9BrF3N3O3S/c9-4-1-5(7(13)14-2-4)19(17,18)15-3-6(16)8(10,11)12/h1-2,6,15-16H,3H2,(H2,13,14)
InChIKeyCNSOQENBORFMHU-UHFFFAOYSA-N
XLogP0.63
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.14
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-bromo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-sulfonamide (CID 66820206) is 2-amino-5-bromo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-sulfonamide is Nc1ncc(Br)cc1S(=O)(=O)NCC(O)C(F)(F)F.
What is the InChIKey of 2-amino-5-bromo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-sulfonamide?
The InChIKey is CNSOQENBORFMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrF3N3O3S/c9-4-1-5(7(13)14-2-4)19(17,18)15-3-6(16)8(10,11)12/h1-2,6,15-16H,3H2,(H2,13,14).
What are the key properties of 2-amino-5-bromo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-sulfonamide?
2-amino-5-bromo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-sulfonamide has a molecular weight of 364.14 g/mol, XLogP of 0.63, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-sulfonamide is sourced from PubChem (CID 66820206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).