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

C12H17BrN4O2S — CID 62152566

IUPAC5-bromo-N-(2-cyanopropyl)-N-ethyl-2-(methylamino)pyridine-3-sulfonamide
SMILESCCN(CC(C)C#N)S(=O)(=O)c1cc(Br)cnc1NC
InChIInChI=1S/C12H17BrN4O2S/c1-4-17(8-9(2)6-14)20(18,19)11-5-10(13)7-16-12(11)15-3/h5,7,9H,4,8H2,1-3H3,(H,15,16)
InChIKeyOZXZYPHZJXHQBL-UHFFFAOYSA-N
MW361.27 g/mol
LogP2.06
Rot. Bonds6

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

5-bromo-N-(2-cyanopropyl)-N-ethyl-2-(methylamino)pyridine-3-sulfonamide (PubChem CID 62152566) has the molecular formula C12H17BrN4O2S and a molecular weight of 361.27 g/mol. Its IUPAC name is 5-bromo-N-(2-cyanopropyl)-N-ethyl-2-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-cyanopropyl)-N-ethyl-2-(methylamino)pyridine-3-sulfonamide
PubChem CID62152566
Molecular FormulaC12H17BrN4O2S
Molecular Weight361.27 g/mol
Exact Mass360.03
IUPAC Name5-bromo-N-(2-cyanopropyl)-N-ethyl-2-(methylamino)pyridine-3-sulfonamide
SMILESCCN(CC(C)C#N)S(=O)(=O)c1cc(Br)cnc1NC
InChIInChI=1S/C12H17BrN4O2S/c1-4-17(8-9(2)6-14)20(18,19)11-5-10(13)7-16-12(11)15-3/h5,7,9H,4,8H2,1-3H3,(H,15,16)
InChIKeyOZXZYPHZJXHQBL-UHFFFAOYSA-N
XLogP2.06
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.27
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-(2-cyanoethyl)-N-ethyl-2-(methylamino)pyridine-3-sulfonamide
CID 62159191
5-bromo-N-ethyl-N-(2-ethylbutyl)-2-hydrazinylpyridine-3-sulfonamide
CID 61437324
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-(2-hydroxyethyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide
CID 62145501
5-bromo-2-(methylamino)-N-(3-methylbutyl)pyridine-3-sulfonamide
CID 55043938
2-amino-4,6-dibromo-N-(2-cyanopropyl)-N-ethylbenzenesulfonamide
CID 61138969
2,5-dichloro-N-(2-cyanopropyl)-N-ethylbenzenesulfonamide
CID 47387966
5-bromo-N-ethyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 61300273
5-bromo-N-(2-cyanoethyl)-2-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 55044408
2-amino-N-(2-cyanopropyl)-N-ethyl-4-methylbenzenesulfonamide
CID 61138586

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-cyanopropyl)-N-ethyl-2-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-(2-cyanopropyl)-N-ethyl-2-(methylamino)pyridine-3-sulfonamide (CID 62152566) is 5-bromo-N-(2-cyanopropyl)-N-ethyl-2-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2-cyanopropyl)-N-ethyl-2-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(2-cyanopropyl)-N-ethyl-2-(methylamino)pyridine-3-sulfonamide is CCN(CC(C)C#N)S(=O)(=O)c1cc(Br)cnc1NC.
What is the InChIKey of 5-bromo-N-(2-cyanopropyl)-N-ethyl-2-(methylamino)pyridine-3-sulfonamide?
The InChIKey is OZXZYPHZJXHQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN4O2S/c1-4-17(8-9(2)6-14)20(18,19)11-5-10(13)7-16-12(11)15-3/h5,7,9H,4,8H2,1-3H3,(H,15,16).
What are the key properties of 5-bromo-N-(2-cyanopropyl)-N-ethyl-2-(methylamino)pyridine-3-sulfonamide?
5-bromo-N-(2-cyanopropyl)-N-ethyl-2-(methylamino)pyridine-3-sulfonamide has a molecular weight of 361.27 g/mol, XLogP of 2.06, 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-cyanopropyl)-N-ethyl-2-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 62152566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).