3-chloro-6-[4-(2-methylsulfonylethyl)anilino]pyridine-2-carbonitrile

C15H14ClN3O2S — CID 133398085

IUPAC3-chloro-6-[4-(2-methylsulfonylethyl)anilino]pyridine-2-carbonitrile
SMILESCS(=O)(=O)CCc1ccc(Nc2ccc(Cl)c(C#N)n2)cc1
InChIInChI=1S/C15H14ClN3O2S/c1-22(20,21)9-8-11-2-4-12(5-3-11)18-15-7-6-13(16)14(10-17)19-15/h2-7H,8-9H2,1H3,(H,18,19)
InChIKeyJKJFCKVQRAJFGO-UHFFFAOYSA-N
MW335.82 g/mol
LogP2.94
Rot. Bonds5

About 3-chloro-6-[4-(2-methylsulfonylethyl)anilino]pyridine-2-carbonitrile

3-chloro-6-[4-(2-methylsulfonylethyl)anilino]pyridine-2-carbonitrile (PubChem CID 133398085) has the molecular formula C15H14ClN3O2S and a molecular weight of 335.82 g/mol. Its IUPAC name is 3-chloro-6-[4-(2-methylsulfonylethyl)anilino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-chloro-6-[4-(2-methylsulfonylethyl)anilino]pyridine-2-carbonitrile
PubChem CID133398085
Molecular FormulaC15H14ClN3O2S
Molecular Weight335.82 g/mol
Exact Mass335.05
IUPAC Name3-chloro-6-[4-(2-methylsulfonylethyl)anilino]pyridine-2-carbonitrile
SMILESCS(=O)(=O)CCc1ccc(Nc2ccc(Cl)c(C#N)n2)cc1
InChIInChI=1S/C15H14ClN3O2S/c1-22(20,21)9-8-11-2-4-12(5-3-11)18-15-7-6-13(16)14(10-17)19-15/h2-7H,8-9H2,1H3,(H,18,19)
InChIKeyJKJFCKVQRAJFGO-UHFFFAOYSA-N
XLogP2.94
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.82
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(2-methylsulfonylethyl)anilino]pyrazine-2-carbonitrile
CID 133398030
6-chloro-2-cyclopropyl-N-[4-(2-methylsulfonylethyl)phenyl]pyrimidin-4-amine
CID 133421758
2,6-dimethyl-4-[4-(2-methylsulfonylethyl)anilino]pyridine-3-carbonitrile
CID 133398006
3-chloro-6-[2-(4-fluorophenyl)ethylamino]pyridine-2-carbonitrile
CID 133282942
6-methyl-N-[4-(2-methylsulfonylethyl)phenyl]pyrimidin-4-amine
CID 133398088
3-chloro-6-[4-methoxy-3-(2,2,2-trifluoroethoxy)anilino]pyridine-2-carbonitrile
CID 133351459
3-chloro-6-[3-(difluoromethoxy)-4-methoxyanilino]pyridine-2-carbonitrile
CID 133334072
3-chloro-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-2-carbonitrile
CID 133370751
3-chloro-6-[[(2S)-1-hydroxypropan-2-yl]amino]pyridine-2-carbonitrile
CID 130638110
3-amino-6-(3,5-dichloroanilino)pyridine-2-carbonitrile
CID 103467416
3-amino-6-(4-methylsulfanylanilino)pyridine-2-carbonitrile
CID 103467393
3-chloro-6-(hexylamino)pyridine-2-carbonitrile
CID 56583872

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[4-(2-methylsulfonylethyl)anilino]pyridine-2-carbonitrile?
The IUPAC name of 3-chloro-6-[4-(2-methylsulfonylethyl)anilino]pyridine-2-carbonitrile (CID 133398085) is 3-chloro-6-[4-(2-methylsulfonylethyl)anilino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-chloro-6-[4-(2-methylsulfonylethyl)anilino]pyridine-2-carbonitrile?
The canonical SMILES for 3-chloro-6-[4-(2-methylsulfonylethyl)anilino]pyridine-2-carbonitrile is CS(=O)(=O)CCc1ccc(Nc2ccc(Cl)c(C#N)n2)cc1.
What is the InChIKey of 3-chloro-6-[4-(2-methylsulfonylethyl)anilino]pyridine-2-carbonitrile?
The InChIKey is JKJFCKVQRAJFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2S/c1-22(20,21)9-8-11-2-4-12(5-3-11)18-15-7-6-13(16)14(10-17)19-15/h2-7H,8-9H2,1H3,(H,18,19).
What are the key properties of 3-chloro-6-[4-(2-methylsulfonylethyl)anilino]pyridine-2-carbonitrile?
3-chloro-6-[4-(2-methylsulfonylethyl)anilino]pyridine-2-carbonitrile has a molecular weight of 335.82 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[4-(2-methylsulfonylethyl)anilino]pyridine-2-carbonitrile is sourced from PubChem (CID 133398085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).