3-(2,3-dihydroindol-1-ylsulfonyl)pyridine-2-carbonitrile

C14H11N3O2S — CID 106545109

IUPAC3-(2,3-dihydroindol-1-ylsulfonyl)pyridine-2-carbonitrile
SMILESN#Cc1ncccc1S(=O)(=O)N1CCc2ccccc21
InChIInChI=1S/C14H11N3O2S/c15-10-12-14(6-3-8-16-12)20(18,19)17-9-7-11-4-1-2-5-13(11)17/h1-6,8H,7,9H2
InChIKeyDXYQQYKYZUHQNN-UHFFFAOYSA-N
MW285.33 g/mol
LogP1.70
Rot. Bonds2

About 3-(2,3-dihydroindol-1-ylsulfonyl)pyridine-2-carbonitrile

3-(2,3-dihydroindol-1-ylsulfonyl)pyridine-2-carbonitrile (PubChem CID 106545109) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-ylsulfonyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-ylsulfonyl)pyridine-2-carbonitrile
PubChem CID106545109
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC Name3-(2,3-dihydroindol-1-ylsulfonyl)pyridine-2-carbonitrile
SMILESN#Cc1ncccc1S(=O)(=O)N1CCc2ccccc21
InChIInChI=1S/C14H11N3O2S/c15-10-12-14(6-3-8-16-12)20(18,19)17-9-7-11-4-1-2-5-13(11)17/h1-6,8H,7,9H2
InChIKeyDXYQQYKYZUHQNN-UHFFFAOYSA-N
XLogP1.70
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-acetylpiperazin-1-yl)sulfonylpyridine-2-carbonitrile
CID 106545073
3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]pyridine-2-carbonitrile
CID 106546619
3-(2-cyanopyrrolidin-1-yl)sulfonylpyridine-2-carbonitrile
CID 106595218
1-(2,3,4-trichlorophenyl)sulfonyl-2,3-dihydroindole
CID 50876146
1-[(2-chloro-4-pyridinyl)sulfonyl]-2,3-dihydroindole
CID 54895623
3-(2,6-dimethylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile
CID 106595489
3-(3,4-dimethylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile
CID 106546645
1-(4-pyridin-4-ylphenyl)sulfonyl-2,3-dihydroindole
CID 110454424
1-(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonyl-2,3-dihydroindole
CID 42282733
3-(3,3-dimethylmorpholin-4-yl)sulfonylpyridine-2-carbonitrile
CID 106545672
2-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)phenol
CID 81233664
1-(4-pyridin-3-ylphenyl)sulfonyl-2,3-dihydroindole
CID 110454423

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-ylsulfonyl)pyridine-2-carbonitrile?
The IUPAC name of 3-(2,3-dihydroindol-1-ylsulfonyl)pyridine-2-carbonitrile (CID 106545109) is 3-(2,3-dihydroindol-1-ylsulfonyl)pyridine-2-carbonitrile.
What is the SMILES notation for 3-(2,3-dihydroindol-1-ylsulfonyl)pyridine-2-carbonitrile?
The canonical SMILES for 3-(2,3-dihydroindol-1-ylsulfonyl)pyridine-2-carbonitrile is N#Cc1ncccc1S(=O)(=O)N1CCc2ccccc21.
What is the InChIKey of 3-(2,3-dihydroindol-1-ylsulfonyl)pyridine-2-carbonitrile?
The InChIKey is DXYQQYKYZUHQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c15-10-12-14(6-3-8-16-12)20(18,19)17-9-7-11-4-1-2-5-13(11)17/h1-6,8H,7,9H2.
What are the key properties of 3-(2,3-dihydroindol-1-ylsulfonyl)pyridine-2-carbonitrile?
3-(2,3-dihydroindol-1-ylsulfonyl)pyridine-2-carbonitrile has a molecular weight of 285.33 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-ylsulfonyl)pyridine-2-carbonitrile is sourced from PubChem (CID 106545109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).