5-bromo-2-[(1-methylpiperidin-4-yl)methoxy]pyridine-3-sulfonamide

C12H18BrN3O3S — CID 168730236

IUPAC5-bromo-2-[(1-methylpiperidin-4-yl)methoxy]pyridine-3-sulfonamide
SMILESCN1CCC(COc2ncc(Br)cc2S(N)(=O)=O)CC1
InChIInChI=1S/C12H18BrN3O3S/c1-16-4-2-9(3-5-16)8-19-12-11(20(14,17)18)6-10(13)7-15-12/h6-7,9H,2-5,8H2,1H3,(H2,14,17,18)
InChIKeyBHJGZMIMOALWQE-UHFFFAOYSA-N
MW364.27 g/mol
LogP1.21
Rot. Bonds4

About 5-bromo-2-[(1-methylpiperidin-4-yl)methoxy]pyridine-3-sulfonamide

5-bromo-2-[(1-methylpiperidin-4-yl)methoxy]pyridine-3-sulfonamide (PubChem CID 168730236) has the molecular formula C12H18BrN3O3S and a molecular weight of 364.27 g/mol. Its IUPAC name is 5-bromo-2-[(1-methylpiperidin-4-yl)methoxy]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-[(1-methylpiperidin-4-yl)methoxy]pyridine-3-sulfonamide
PubChem CID168730236
Molecular FormulaC12H18BrN3O3S
Molecular Weight364.27 g/mol
Exact Mass363.03
IUPAC Name5-bromo-2-[(1-methylpiperidin-4-yl)methoxy]pyridine-3-sulfonamide
SMILESCN1CCC(COc2ncc(Br)cc2S(N)(=O)=O)CC1
InChIInChI=1S/C12H18BrN3O3S/c1-16-4-2-9(3-5-16)8-19-12-11(20(14,17)18)6-10(13)7-15-12/h6-7,9H,2-5,8H2,1H3,(H2,14,17,18)
InChIKeyBHJGZMIMOALWQE-UHFFFAOYSA-N
XLogP1.21
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.27
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(1-methylpiperidin-4-yl)methoxy]pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-[(1-methylpiperidin-4-yl)methoxy]pyridine-3-sulfonamide (CID 168730236) is 5-bromo-2-[(1-methylpiperidin-4-yl)methoxy]pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-[(1-methylpiperidin-4-yl)methoxy]pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-[(1-methylpiperidin-4-yl)methoxy]pyridine-3-sulfonamide is CN1CCC(COc2ncc(Br)cc2S(N)(=O)=O)CC1.
What is the InChIKey of 5-bromo-2-[(1-methylpiperidin-4-yl)methoxy]pyridine-3-sulfonamide?
The InChIKey is BHJGZMIMOALWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O3S/c1-16-4-2-9(3-5-16)8-19-12-11(20(14,17)18)6-10(13)7-15-12/h6-7,9H,2-5,8H2,1H3,(H2,14,17,18).
What are the key properties of 5-bromo-2-[(1-methylpiperidin-4-yl)methoxy]pyridine-3-sulfonamide?
5-bromo-2-[(1-methylpiperidin-4-yl)methoxy]pyridine-3-sulfonamide has a molecular weight of 364.27 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(1-methylpiperidin-4-yl)methoxy]pyridine-3-sulfonamide is sourced from PubChem (CID 168730236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).