6-[(3S)-3-(2-chlorophenyl)sulfonylpyrrolidin-1-yl]pyridine-2-carbonitrile

C16H14ClN3O2S — CID 57335198

IUPAC6-[(3S)-3-(2-chlorophenyl)sulfonylpyrrolidin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(N2CC[C@H](S(=O)(=O)c3ccccc3Cl)C2)n1
InChIInChI=1S/C16H14ClN3O2S/c17-14-5-1-2-6-15(14)23(21,22)13-8-9-20(11-13)16-7-3-4-12(10-18)19-16/h1-7,13H,8-9,11H2/t13-/m0/s1
InChIKeyJIIPXHFDKWYAIJ-ZDUSSCGKSA-N
MW347.83 g/mol
LogP2.66
Rot. Bonds3

About 6-[(3S)-3-(2-chlorophenyl)sulfonylpyrrolidin-1-yl]pyridine-2-carbonitrile

6-[(3S)-3-(2-chlorophenyl)sulfonylpyrrolidin-1-yl]pyridine-2-carbonitrile (PubChem CID 57335198) has the molecular formula C16H14ClN3O2S and a molecular weight of 347.83 g/mol. Its IUPAC name is 6-[(3S)-3-(2-chlorophenyl)sulfonylpyrrolidin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(3S)-3-(2-chlorophenyl)sulfonylpyrrolidin-1-yl]pyridine-2-carbonitrile
PubChem CID57335198
Molecular FormulaC16H14ClN3O2S
Molecular Weight347.83 g/mol
Exact Mass347.05
IUPAC Name6-[(3S)-3-(2-chlorophenyl)sulfonylpyrrolidin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(N2CC[C@H](S(=O)(=O)c3ccccc3Cl)C2)n1
InChIInChI=1S/C16H14ClN3O2S/c17-14-5-1-2-6-15(14)23(21,22)13-8-9-20(11-13)16-7-3-4-12(10-18)19-16/h1-7,13H,8-9,11H2/t13-/m0/s1
InChIKeyJIIPXHFDKWYAIJ-ZDUSSCGKSA-N
XLogP2.66
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.83
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-3-(2-chlorophenyl)sulfonylpyrrolidin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[(3S)-3-(2-chlorophenyl)sulfonylpyrrolidin-1-yl]pyridine-2-carbonitrile (CID 57335198) is 6-[(3S)-3-(2-chlorophenyl)sulfonylpyrrolidin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[(3S)-3-(2-chlorophenyl)sulfonylpyrrolidin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[(3S)-3-(2-chlorophenyl)sulfonylpyrrolidin-1-yl]pyridine-2-carbonitrile is N#Cc1cccc(N2CC[C@H](S(=O)(=O)c3ccccc3Cl)C2)n1.
What is the InChIKey of 6-[(3S)-3-(2-chlorophenyl)sulfonylpyrrolidin-1-yl]pyridine-2-carbonitrile?
The InChIKey is JIIPXHFDKWYAIJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H14ClN3O2S/c17-14-5-1-2-6-15(14)23(21,22)13-8-9-20(11-13)16-7-3-4-12(10-18)19-16/h1-7,13H,8-9,11H2/t13-/m0/s1.
What are the key properties of 6-[(3S)-3-(2-chlorophenyl)sulfonylpyrrolidin-1-yl]pyridine-2-carbonitrile?
6-[(3S)-3-(2-chlorophenyl)sulfonylpyrrolidin-1-yl]pyridine-2-carbonitrile has a molecular weight of 347.83 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-3-(2-chlorophenyl)sulfonylpyrrolidin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 57335198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).