5-bromo-N-(2-cyanoethyl)-N-ethyl-2-(methylamino)pyridine-3-sulfonamide

C11H15BrN4O2S — CID 62159191

IUPAC5-bromo-N-(2-cyanoethyl)-N-ethyl-2-(methylamino)pyridine-3-sulfonamide
SMILESCCN(CCC#N)S(=O)(=O)c1cc(Br)cnc1NC
InChIInChI=1S/C11H15BrN4O2S/c1-3-16(6-4-5-13)19(17,18)10-7-9(12)8-15-11(10)14-2/h7-8H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyGFRZSJWYCLHVFJ-UHFFFAOYSA-N
MW347.24 g/mol
LogP1.81
Rot. Bonds6

About 5-bromo-N-(2-cyanoethyl)-N-ethyl-2-(methylamino)pyridine-3-sulfonamide

5-bromo-N-(2-cyanoethyl)-N-ethyl-2-(methylamino)pyridine-3-sulfonamide (PubChem CID 62159191) has the molecular formula C11H15BrN4O2S and a molecular weight of 347.24 g/mol. Its IUPAC name is 5-bromo-N-(2-cyanoethyl)-N-ethyl-2-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-cyanoethyl)-N-ethyl-2-(methylamino)pyridine-3-sulfonamide
PubChem CID62159191
Molecular FormulaC11H15BrN4O2S
Molecular Weight347.24 g/mol
Exact Mass346.01
IUPAC Name5-bromo-N-(2-cyanoethyl)-N-ethyl-2-(methylamino)pyridine-3-sulfonamide
SMILESCCN(CCC#N)S(=O)(=O)c1cc(Br)cnc1NC
InChIInChI=1S/C11H15BrN4O2S/c1-3-16(6-4-5-13)19(17,18)10-7-9(12)8-15-11(10)14-2/h7-8H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyGFRZSJWYCLHVFJ-UHFFFAOYSA-N
XLogP1.81
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.24
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-(2-cyanopropyl)-N-ethyl-2-(methylamino)pyridine-3-sulfonamide
CID 62152566
5-bromo-N-(2-cyanoethyl)-2-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 55044408
5-bromo-N-(2-hydroxyethyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide
CID 62145501
5-bromo-N-ethyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 61300273
5-bromo-N,N-diethyl-2-hydrazinylpyridine-3-sulfonamide
CID 61298909
5-bromo-N-[2-(dimethylamino)ethyl]-N-methyl-2-(methylamino)pyridine-3-sulfonamide
CID 63727213
5-bromo-N,N-bis(cyanomethyl)-2-(propylamino)pyridine-3-sulfonamide
CID 62164035
5-bromo-N-ethyl-2-(ethylamino)-N-(2-methoxyethyl)pyridine-3-sulfonamide
CID 62157414
4-bromo-N-(2-cyanoethyl)-N-ethyl-2-fluorobenzenesulfonamide
CID 116527494
5-bromo-N-(2-ethoxyethyl)-N-ethyl-2-(ethylamino)pyridine-3-sulfonamide
CID 63690095
2,5-dibromo-N-(2-cyanoethyl)-N-ethyl-4-methylbenzenesulfonamide
CID 80708752
5-bromo-2-(ethylamino)-N-(2-hydroxyethyl)-N-propylpyridine-3-sulfonamide
CID 62157146

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-cyanoethyl)-N-ethyl-2-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-(2-cyanoethyl)-N-ethyl-2-(methylamino)pyridine-3-sulfonamide (CID 62159191) is 5-bromo-N-(2-cyanoethyl)-N-ethyl-2-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2-cyanoethyl)-N-ethyl-2-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(2-cyanoethyl)-N-ethyl-2-(methylamino)pyridine-3-sulfonamide is CCN(CCC#N)S(=O)(=O)c1cc(Br)cnc1NC.
What is the InChIKey of 5-bromo-N-(2-cyanoethyl)-N-ethyl-2-(methylamino)pyridine-3-sulfonamide?
The InChIKey is GFRZSJWYCLHVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4O2S/c1-3-16(6-4-5-13)19(17,18)10-7-9(12)8-15-11(10)14-2/h7-8H,3-4,6H2,1-2H3,(H,14,15).
What are the key properties of 5-bromo-N-(2-cyanoethyl)-N-ethyl-2-(methylamino)pyridine-3-sulfonamide?
5-bromo-N-(2-cyanoethyl)-N-ethyl-2-(methylamino)pyridine-3-sulfonamide has a molecular weight of 347.24 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-cyanoethyl)-N-ethyl-2-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 62159191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).