5-bromo-N-(2-cyanoethyl)-2-(ethylamino)-N-methylpyridine-3-sulfonamide

C11H15BrN4O2S — CID 55044408

IUPAC5-bromo-N-(2-cyanoethyl)-2-(ethylamino)-N-methylpyridine-3-sulfonamide
SMILESCCNc1ncc(Br)cc1S(=O)(=O)N(C)CCC#N
InChIInChI=1S/C11H15BrN4O2S/c1-3-14-11-10(7-9(12)8-15-11)19(17,18)16(2)6-4-5-13/h7-8H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyUCUHKDYAPSNHRZ-UHFFFAOYSA-N
MW347.24 g/mol
LogP1.81
Rot. Bonds6

About 5-bromo-N-(2-cyanoethyl)-2-(ethylamino)-N-methylpyridine-3-sulfonamide

5-bromo-N-(2-cyanoethyl)-2-(ethylamino)-N-methylpyridine-3-sulfonamide (PubChem CID 55044408) has the molecular formula C11H15BrN4O2S and a molecular weight of 347.24 g/mol. Its IUPAC name is 5-bromo-N-(2-cyanoethyl)-2-(ethylamino)-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-cyanoethyl)-2-(ethylamino)-N-methylpyridine-3-sulfonamide
PubChem CID55044408
Molecular FormulaC11H15BrN4O2S
Molecular Weight347.24 g/mol
Exact Mass346.01
IUPAC Name5-bromo-N-(2-cyanoethyl)-2-(ethylamino)-N-methylpyridine-3-sulfonamide
SMILESCCNc1ncc(Br)cc1S(=O)(=O)N(C)CCC#N
InChIInChI=1S/C11H15BrN4O2S/c1-3-14-11-10(7-9(12)8-15-11)19(17,18)16(2)6-4-5-13/h7-8H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyUCUHKDYAPSNHRZ-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-2-(ethylamino)-N-(2-hydroxyethyl)-N-methylpyridine-3-sulfonamide
CID 62145502
5-bromo-N-(2-cyanoethyl)-N-ethyl-2-(methylamino)pyridine-3-sulfonamide
CID 62159191
5-bromo-N-[2-(dimethylamino)ethyl]-N-methyl-2-(methylamino)pyridine-3-sulfonamide
CID 63727213
5-bromo-N-(cyclobutylmethyl)-2-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 62855898
5-bromo-N-(2-hydroxyethyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide
CID 62145501
5-bromo-N,N-bis(cyanomethyl)-2-(propylamino)pyridine-3-sulfonamide
CID 62164035
5-bromo-2-(ethylamino)-N-(2-hydroxyethyl)-N-propylpyridine-3-sulfonamide
CID 62157146
5-bromo-N-butyl-2-hydrazinyl-N-methylpyridine-3-sulfonamide
CID 61301233
5-bromo-N-ethyl-2-(ethylamino)-N-(2-methoxyethyl)pyridine-3-sulfonamide
CID 62157414
5-bromo-2-(ethylamino)-N-(1-methoxypropan-2-yl)-N-methylpyridine-3-sulfonamide
CID 62158890
5-bromo-N-butyl-2-(ethylamino)-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 62159278
5-bromo-N-(2-ethoxyethyl)-N-ethyl-2-(ethylamino)pyridine-3-sulfonamide
CID 63690095

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-cyanoethyl)-2-(ethylamino)-N-methylpyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-(2-cyanoethyl)-2-(ethylamino)-N-methylpyridine-3-sulfonamide (CID 55044408) is 5-bromo-N-(2-cyanoethyl)-2-(ethylamino)-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2-cyanoethyl)-2-(ethylamino)-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(2-cyanoethyl)-2-(ethylamino)-N-methylpyridine-3-sulfonamide is CCNc1ncc(Br)cc1S(=O)(=O)N(C)CCC#N.
What is the InChIKey of 5-bromo-N-(2-cyanoethyl)-2-(ethylamino)-N-methylpyridine-3-sulfonamide?
The InChIKey is UCUHKDYAPSNHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4O2S/c1-3-14-11-10(7-9(12)8-15-11)19(17,18)16(2)6-4-5-13/h7-8H,3-4,6H2,1-2H3,(H,14,15).
What are the key properties of 5-bromo-N-(2-cyanoethyl)-2-(ethylamino)-N-methylpyridine-3-sulfonamide?
5-bromo-N-(2-cyanoethyl)-2-(ethylamino)-N-methylpyridine-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)-2-(ethylamino)-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 55044408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).