5-bromo-2-(oxan-4-ylmethylamino)pyridine-3-sulfonamide

C11H16BrN3O3S — CID 168730254

IUPAC5-bromo-2-(oxan-4-ylmethylamino)pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cc(Br)cnc1NCC1CCOCC1
InChIInChI=1S/C11H16BrN3O3S/c12-9-5-10(19(13,16)17)11(15-7-9)14-6-8-1-3-18-4-2-8/h5,7-8H,1-4,6H2,(H,14,15)(H2,13,16,17)
InChIKeyYOSFLTFYUJVGRJ-UHFFFAOYSA-N
MW350.24 g/mol
LogP1.33
Rot. Bonds4

About 5-bromo-2-(oxan-4-ylmethylamino)pyridine-3-sulfonamide

5-bromo-2-(oxan-4-ylmethylamino)pyridine-3-sulfonamide (PubChem CID 168730254) has the molecular formula C11H16BrN3O3S and a molecular weight of 350.24 g/mol. Its IUPAC name is 5-bromo-2-(oxan-4-ylmethylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-(oxan-4-ylmethylamino)pyridine-3-sulfonamide
PubChem CID168730254
Molecular FormulaC11H16BrN3O3S
Molecular Weight350.24 g/mol
Exact Mass349.01
IUPAC Name5-bromo-2-(oxan-4-ylmethylamino)pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cc(Br)cnc1NCC1CCOCC1
InChIInChI=1S/C11H16BrN3O3S/c12-9-5-10(19(13,16)17)11(15-7-9)14-6-8-1-3-18-4-2-8/h5,7-8H,1-4,6H2,(H,14,15)(H2,13,16,17)
InChIKeyYOSFLTFYUJVGRJ-UHFFFAOYSA-N
XLogP1.33
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.24
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(oxan-4-ylmethylamino)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-(oxan-4-ylmethylamino)pyridine-3-sulfonamide (CID 168730254) is 5-bromo-2-(oxan-4-ylmethylamino)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-(oxan-4-ylmethylamino)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-(oxan-4-ylmethylamino)pyridine-3-sulfonamide is NS(=O)(=O)c1cc(Br)cnc1NCC1CCOCC1.
What is the InChIKey of 5-bromo-2-(oxan-4-ylmethylamino)pyridine-3-sulfonamide?
The InChIKey is YOSFLTFYUJVGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O3S/c12-9-5-10(19(13,16)17)11(15-7-9)14-6-8-1-3-18-4-2-8/h5,7-8H,1-4,6H2,(H,14,15)(H2,13,16,17).
What are the key properties of 5-bromo-2-(oxan-4-ylmethylamino)pyridine-3-sulfonamide?
5-bromo-2-(oxan-4-ylmethylamino)pyridine-3-sulfonamide has a molecular weight of 350.24 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(oxan-4-ylmethylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 168730254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).