5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrole-3-carbonitrile

C16H10FN3O2S — CID 141403376

IUPAC5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrole-3-carbonitrile
SMILESN#Cc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1
InChIInChI=1S/C16H10FN3O2S/c17-15-6-2-1-5-14(15)16-8-12(9-18)11-20(16)23(21,22)13-4-3-7-19-10-13/h1-8,10-11H
InChIKeyPZUUKJCBWCBPQJ-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.80
Rot. Bonds3

About 5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrole-3-carbonitrile

5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrole-3-carbonitrile (PubChem CID 141403376) has the molecular formula C16H10FN3O2S and a molecular weight of 327.34 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrole-3-carbonitrile.

Molecular Properties

Compound Name5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrole-3-carbonitrile
PubChem CID141403376
Molecular FormulaC16H10FN3O2S
Molecular Weight327.34 g/mol
Exact Mass327.05
IUPAC Name5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrole-3-carbonitrile
SMILESN#Cc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1
InChIInChI=1S/C16H10FN3O2S/c17-15-6-2-1-5-14(15)16-8-12(9-18)11-20(16)23(21,22)13-4-3-7-19-10-13/h1-8,10-11H
InChIKeyPZUUKJCBWCBPQJ-UHFFFAOYSA-N
XLogP2.80
TPSA75.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrole-3-carbonitrile?
The IUPAC name of 5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrole-3-carbonitrile (CID 141403376) is 5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrole-3-carbonitrile.
What is the SMILES notation for 5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrole-3-carbonitrile?
The canonical SMILES for 5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrole-3-carbonitrile is N#Cc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1.
What is the InChIKey of 5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrole-3-carbonitrile?
The InChIKey is PZUUKJCBWCBPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN3O2S/c17-15-6-2-1-5-14(15)16-8-12(9-18)11-20(16)23(21,22)13-4-3-7-19-10-13/h1-8,10-11H.
What are the key properties of 5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrole-3-carbonitrile?
5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrole-3-carbonitrile has a molecular weight of 327.34 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrole-3-carbonitrile is sourced from PubChem (CID 141403376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).