N-(4-bromo-2-pyridinyl)-1-cyanoethanesulfonamide

C8H8BrN3O2S — CID 102820674

IUPACN-(4-bromo-2-pyridinyl)-1-cyanoethanesulfonamide
SMILESCC(C#N)S(=O)(=O)Nc1cc(Br)ccn1
InChIInChI=1S/C8H8BrN3O2S/c1-6(5-10)15(13,14)12-8-4-7(9)2-3-11-8/h2-4,6H,1H3,(H,11,12)
InChIKeyPZANMULRYKNBRG-UHFFFAOYSA-N
MW290.14 g/mol
LogP1.50
Rot. Bonds3

About N-(4-bromo-2-pyridinyl)-1-cyanoethanesulfonamide

N-(4-bromo-2-pyridinyl)-1-cyanoethanesulfonamide (PubChem CID 102820674) has the molecular formula C8H8BrN3O2S and a molecular weight of 290.14 g/mol. Its IUPAC name is N-(4-bromo-2-pyridinyl)-1-cyanoethanesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-pyridinyl)-1-cyanoethanesulfonamide
PubChem CID102820674
Molecular FormulaC8H8BrN3O2S
Molecular Weight290.14 g/mol
Exact Mass288.95
IUPAC NameN-(4-bromo-2-pyridinyl)-1-cyanoethanesulfonamide
SMILESCC(C#N)S(=O)(=O)Nc1cc(Br)ccn1
InChIInChI=1S/C8H8BrN3O2S/c1-6(5-10)15(13,14)12-8-4-7(9)2-3-11-8/h2-4,6H,1H3,(H,11,12)
InChIKeyPZANMULRYKNBRG-UHFFFAOYSA-N
XLogP1.50
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.14
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyano-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]ethanesulfonamide
CID 102821588
(E)-3-[2-(1-cyanoethylsulfonylamino)-4-pyridinyl]prop-2-enoic acid
CID 102822166
4-bromo-N-(2-methylpropylsulfamoyl)pyridin-2-amine
CID 102820721
1-cyano-N-pyridazin-3-ylethanesulfonamide
CID 116787093
N-(4-bromo-2-pyridinyl)-4-cyanobenzenesulfonamide
CID 102671853
N-(4-bromo-2-pyridinyl)-1-(3-cyanophenyl)methanesulfonamide
CID 102822237
1-cyano-N-(1,2,4-triazin-3-yl)ethanesulfonamide
CID 114387990
N-(4-bromo-2-pyridinyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107327698
5-bromo-N-(4-bromo-2-pyridinyl)-2-methylthiophene-3-sulfonamide
CID 102671870
4-[(4-bromo-2-pyridinyl)sulfamoyl]benzamide
CID 102671827
2-[[benzyl(methyl)sulfamoyl]amino]-4-bromopyridine
CID 102822218
3-(1-cyanoethylsulfonylamino)pyridine-2-carboxylic acid
CID 104740574

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-pyridinyl)-1-cyanoethanesulfonamide?
The IUPAC name of N-(4-bromo-2-pyridinyl)-1-cyanoethanesulfonamide (CID 102820674) is N-(4-bromo-2-pyridinyl)-1-cyanoethanesulfonamide.
What is the SMILES notation for N-(4-bromo-2-pyridinyl)-1-cyanoethanesulfonamide?
The canonical SMILES for N-(4-bromo-2-pyridinyl)-1-cyanoethanesulfonamide is CC(C#N)S(=O)(=O)Nc1cc(Br)ccn1.
What is the InChIKey of N-(4-bromo-2-pyridinyl)-1-cyanoethanesulfonamide?
The InChIKey is PZANMULRYKNBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3O2S/c1-6(5-10)15(13,14)12-8-4-7(9)2-3-11-8/h2-4,6H,1H3,(H,11,12).
What are the key properties of N-(4-bromo-2-pyridinyl)-1-cyanoethanesulfonamide?
N-(4-bromo-2-pyridinyl)-1-cyanoethanesulfonamide has a molecular weight of 290.14 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-pyridinyl)-1-cyanoethanesulfonamide is sourced from PubChem (CID 102820674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).