(2R)-2-(benzenesulfonyl)-2-(2-chloro-3-pyridinyl)acetonitrile

C13H9ClN2O2S — CID 125491707

IUPAC(2R)-2-(benzenesulfonyl)-2-(2-chloro-3-pyridinyl)acetonitrile
SMILESN#C[C@@H](c1cccnc1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H9ClN2O2S/c14-13-11(7-4-8-16-13)12(9-15)19(17,18)10-5-2-1-3-6-10/h1-8,12H/t12-/m0/s1
InChIKeyWYCQUSZYBRHLLW-LBPRGKRZSA-N
MW292.75 g/mol
LogP2.77
Rot. Bonds3

About (2R)-2-(benzenesulfonyl)-2-(2-chloro-3-pyridinyl)acetonitrile

(2R)-2-(benzenesulfonyl)-2-(2-chloro-3-pyridinyl)acetonitrile (PubChem CID 125491707) has the molecular formula C13H9ClN2O2S and a molecular weight of 292.75 g/mol. Its IUPAC name is (2R)-2-(benzenesulfonyl)-2-(2-chloro-3-pyridinyl)acetonitrile.

Molecular Properties

Compound Name(2R)-2-(benzenesulfonyl)-2-(2-chloro-3-pyridinyl)acetonitrile
PubChem CID125491707
Molecular FormulaC13H9ClN2O2S
Molecular Weight292.75 g/mol
Exact Mass292.01
IUPAC Name(2R)-2-(benzenesulfonyl)-2-(2-chloro-3-pyridinyl)acetonitrile
SMILESN#C[C@@H](c1cccnc1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H9ClN2O2S/c14-13-11(7-4-8-16-13)12(9-15)19(17,18)10-5-2-1-3-6-10/h1-8,12H/t12-/m0/s1
InChIKeyWYCQUSZYBRHLLW-LBPRGKRZSA-N
XLogP2.77
TPSA70.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.75
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-(2-chloro-3-pyridinyl)-2,3-dihydroxypropanenitrile
CID 171869707
2-(benzenesulfonyl)-2-(4-chlorophenyl)acetonitrile
CID 10424403
(2S)-2-(benzenesulfonyl)-2-(6-chloro-2-methyl-5-nitropyrimidin-4-yl)acetonitrile
CID 125493683
(2-chloro-3-pyridinyl)methanediol
CID 163733643
bis(2-chloro-3-pyridinyl)methanol
CID 14691920
2-(3-chloropyrazin-2-yl)-2-thiophen-2-ylsulfonylacetonitrile
CID 118611249
(3R)-3-amino-3-(2-chloro-3-pyridinyl)propanenitrile;hydrochloride
CID 171260290
2-phenyl-2-pyridin-2-ylsulfonylacetonitrile
CID 25186357
2-(benzenesulfonyl)-2-(4-methylphenyl)acetonitrile
CID 10400985
(1S)-1-(2-chloro-3-pyridinyl)ethanol
CID 86330823
2-(4-chlorophenyl)sulfonyl-2-(3-chloroquinoxalin-2-yl)acetonitrile
CID 3858690
2-(benzenesulfonyl)propanedinitrile;propanedinitrile
CID 91131130

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(benzenesulfonyl)-2-(2-chloro-3-pyridinyl)acetonitrile?
The IUPAC name of (2R)-2-(benzenesulfonyl)-2-(2-chloro-3-pyridinyl)acetonitrile (CID 125491707) is (2R)-2-(benzenesulfonyl)-2-(2-chloro-3-pyridinyl)acetonitrile.
What is the SMILES notation for (2R)-2-(benzenesulfonyl)-2-(2-chloro-3-pyridinyl)acetonitrile?
The canonical SMILES for (2R)-2-(benzenesulfonyl)-2-(2-chloro-3-pyridinyl)acetonitrile is N#C[C@@H](c1cccnc1Cl)S(=O)(=O)c1ccccc1.
What is the InChIKey of (2R)-2-(benzenesulfonyl)-2-(2-chloro-3-pyridinyl)acetonitrile?
The InChIKey is WYCQUSZYBRHLLW-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H9ClN2O2S/c14-13-11(7-4-8-16-13)12(9-15)19(17,18)10-5-2-1-3-6-10/h1-8,12H/t12-/m0/s1.
What are the key properties of (2R)-2-(benzenesulfonyl)-2-(2-chloro-3-pyridinyl)acetonitrile?
(2R)-2-(benzenesulfonyl)-2-(2-chloro-3-pyridinyl)acetonitrile has a molecular weight of 292.75 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(benzenesulfonyl)-2-(2-chloro-3-pyridinyl)acetonitrile is sourced from PubChem (CID 125491707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).