5-bromo-2-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide

C11H15BrN6O2S — CID 80685572

About 5-bromo-2-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide

5-bromo-2-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide (PubChem CID 80685572) has the molecular formula C11H15BrN6O2S and a molecular weight of 375.25 g/mol. Its IUPAC name is 5-bromo-2-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

• Compound Name: 5-bromo-2-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide
• PubChem CID: 80685572
• Molecular Formula: C11H15BrN6O2S
• Molecular Weight: 375.25 g/mol
• Exact Mass: 374.02
• IUPAC Name: 5-bromo-2-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide
• SMILES: CNc1ncc(Br)cc1S(=O)(=O)NCCc1ncn(C)n1
• InChI: InChI=1S/C11H15BrN6O2S/c1-13-11-9(5-8(12)6-14-11)21(19,20)16-4-3-10-15-7-18(2)17-10/h5-7,16H,3-4H2,1-2H3,(H,13,14)
• InChIKey: ARSLZHDHMFAYMD-UHFFFAOYSA-N
• XLogP: 0.54
• TPSA: 101.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.25
LogP ≤ 5	0.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide?

The IUPAC name of 5-bromo-2-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide (CID 80685572) is 5-bromo-2-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide.

What is the SMILES notation for 5-bromo-2-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide?

The canonical SMILES for 5-bromo-2-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide is CNc1ncc(Br)cc1S(=O)(=O)NCCc1ncn(C)n1.

What is the InChIKey of 5-bromo-2-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide?

The InChIKey is ARSLZHDHMFAYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN6O2S/c1-13-11-9(5-8(12)6-14-11)21(19,20)16-4-3-10-15-7-18(2)17-10/h5-7,16H,3-4H2,1-2H3,(H,13,14).

What are the key properties of 5-bromo-2-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide?

5-bromo-2-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide has a molecular weight of 375.25 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 80685572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).