5-bromo-6-[methyl(oxan-4-yl)amino]pyridine-3-sulfonamide

C11H16BrN3O3S — CID 67126422

IUPAC5-bromo-6-[methyl(oxan-4-yl)amino]pyridine-3-sulfonamide
SMILESCN(c1ncc(S(N)(=O)=O)cc1Br)C1CCOCC1
InChIInChI=1S/C11H16BrN3O3S/c1-15(8-2-4-18-5-3-8)11-10(12)6-9(7-14-11)19(13,16)17/h6-8H,2-5H2,1H3,(H2,13,16,17)
InChIKeyWAMJWKDWOZJGRA-UHFFFAOYSA-N
MW350.24 g/mol
LogP1.11
Rot. Bonds3

About 5-bromo-6-[methyl(oxan-4-yl)amino]pyridine-3-sulfonamide

5-bromo-6-[methyl(oxan-4-yl)amino]pyridine-3-sulfonamide (PubChem CID 67126422) has the molecular formula C11H16BrN3O3S and a molecular weight of 350.24 g/mol. Its IUPAC name is 5-bromo-6-[methyl(oxan-4-yl)amino]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-6-[methyl(oxan-4-yl)amino]pyridine-3-sulfonamide
PubChem CID67126422
Molecular FormulaC11H16BrN3O3S
Molecular Weight350.24 g/mol
Exact Mass349.01
IUPAC Name5-bromo-6-[methyl(oxan-4-yl)amino]pyridine-3-sulfonamide
SMILESCN(c1ncc(S(N)(=O)=O)cc1Br)C1CCOCC1
InChIInChI=1S/C11H16BrN3O3S/c1-15(8-2-4-18-5-3-8)11-10(12)6-9(7-14-11)19(13,16)17/h6-8H,2-5H2,1H3,(H2,13,16,17)
InChIKeyWAMJWKDWOZJGRA-UHFFFAOYSA-N
XLogP1.11
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.24
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[methyl(oxan-4-yl)amino]pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-6-[methyl(oxan-4-yl)amino]pyridine-3-sulfonamide (CID 67126422) is 5-bromo-6-[methyl(oxan-4-yl)amino]pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-6-[methyl(oxan-4-yl)amino]pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-6-[methyl(oxan-4-yl)amino]pyridine-3-sulfonamide is CN(c1ncc(S(N)(=O)=O)cc1Br)C1CCOCC1.
What is the InChIKey of 5-bromo-6-[methyl(oxan-4-yl)amino]pyridine-3-sulfonamide?
The InChIKey is WAMJWKDWOZJGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O3S/c1-15(8-2-4-18-5-3-8)11-10(12)6-9(7-14-11)19(13,16)17/h6-8H,2-5H2,1H3,(H2,13,16,17).
What are the key properties of 5-bromo-6-[methyl(oxan-4-yl)amino]pyridine-3-sulfonamide?
5-bromo-6-[methyl(oxan-4-yl)amino]pyridine-3-sulfonamide has a molecular weight of 350.24 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[methyl(oxan-4-yl)amino]pyridine-3-sulfonamide is sourced from PubChem (CID 67126422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).