3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)oxy]benzonitrile

C16H15N3O3S — CID 4790715

IUPAC3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)oxy]benzonitrile
SMILESN#Cc1cccc(Oc2ccc(S(=O)(=O)N3CCCC3)cn2)c1
InChIInChI=1S/C16H15N3O3S/c17-11-13-4-3-5-14(10-13)22-16-7-6-15(12-18-16)23(20,21)19-8-1-2-9-19/h3-7,10,12H,1-2,8-9H2
InChIKeyJIZLZWYZELXLNS-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.53
Rot. Bonds4

About 3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)oxy]benzonitrile

3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)oxy]benzonitrile (PubChem CID 4790715) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is 3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)oxy]benzonitrile.

Molecular Properties

Compound Name3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)oxy]benzonitrile
PubChem CID4790715
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)oxy]benzonitrile
SMILESN#Cc1cccc(Oc2ccc(S(=O)(=O)N3CCCC3)cn2)c1
InChIInChI=1S/C16H15N3O3S/c17-11-13-4-3-5-14(10-13)22-16-7-6-15(12-18-16)23(20,21)19-8-1-2-9-19/h3-7,10,12H,1-2,8-9H2
InChIKeyJIZLZWYZELXLNS-UHFFFAOYSA-N
XLogP2.53
TPSA83.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)oxy]benzonitrile?
The IUPAC name of 3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)oxy]benzonitrile (CID 4790715) is 3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)oxy]benzonitrile.
What is the SMILES notation for 3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)oxy]benzonitrile?
The canonical SMILES for 3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)oxy]benzonitrile is N#Cc1cccc(Oc2ccc(S(=O)(=O)N3CCCC3)cn2)c1.
What is the InChIKey of 3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)oxy]benzonitrile?
The InChIKey is JIZLZWYZELXLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c17-11-13-4-3-5-14(10-13)22-16-7-6-15(12-18-16)23(20,21)19-8-1-2-9-19/h3-7,10,12H,1-2,8-9H2.
What are the key properties of 3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)oxy]benzonitrile?
3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)oxy]benzonitrile has a molecular weight of 329.38 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)oxy]benzonitrile is sourced from PubChem (CID 4790715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).