chempirical

2-Pyridinesulfonylacetonitrile

C7H6N2O2SCAS 170449-34-0182.20 g/mol

Open in Covalent MOL file
NSOON
NitrileSulfone

Properties

Molecular formula
C7H6N2O2S
Molar mass
182.20 g/mol
Exact mass
182.0150 Da
logP
0.38Crippen estimate
Polar surface area
70.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Identifiers

CAS number
170449-34-0
SMILES
C1=CC=NC(=C1)S(=O)(=O)CC#N
InChIKey
SAKACXZDAJXBCI-UHFFFAOYSA-N
InChI
InChI=1S/C7H6N2O2S/c8-4-6-12(10,11)7-3-1-2-5-9-7/h1-3,5H,6H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 2-Pyridinesulfonylacetonitrile

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(Phenylsulfonyl)acetonitrile7605-28-955 % similar 2-(4-Bromobenzenesulfonyl)acetonitrile126891-45-045 % similar 2-[(4-Methylphenyl)sulfonyl]acetonitrile5697-44-945 % similar 2-Pyridineacetonitrile2739-97-143 % similar 2-Difluoromethanesulfonylpyridine1219454-89-342 % similar 2-[(Tribromomethyl)sulfonyl]pyridine59626-33-442 % similar β-Oxo-2-pyridinepropanenitrile54123-21-640 % similar 2-Pyridineethanesulfonic acid68922-18-934 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Cyanobenzenesulfonamide3119-02-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook