3-[cyano-(4-fluorophenyl)sulfonylmethyl]quinoxaline-2-carbonitrile

C17H9FN4O2S — CID 3891270

IUPAC3-[cyano-(4-fluorophenyl)sulfonylmethyl]quinoxaline-2-carbonitrile
SMILESN#Cc1nc2ccccc2nc1C(C#N)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H9FN4O2S/c18-11-5-7-12(8-6-11)25(23,24)16(10-20)17-15(9-19)21-13-3-1-2-4-14(13)22-17/h1-8,16H
InChIKeyRBEGYKTXRGWHAU-UHFFFAOYSA-N
MW352.35 g/mol
LogP2.68
Rot. Bonds3

About 3-[cyano-(4-fluorophenyl)sulfonylmethyl]quinoxaline-2-carbonitrile

3-[cyano-(4-fluorophenyl)sulfonylmethyl]quinoxaline-2-carbonitrile (PubChem CID 3891270) has the molecular formula C17H9FN4O2S and a molecular weight of 352.35 g/mol. Its IUPAC name is 3-[cyano-(4-fluorophenyl)sulfonylmethyl]quinoxaline-2-carbonitrile.

Molecular Properties

Compound Name3-[cyano-(4-fluorophenyl)sulfonylmethyl]quinoxaline-2-carbonitrile
PubChem CID3891270
Molecular FormulaC17H9FN4O2S
Molecular Weight352.35 g/mol
Exact Mass352.04
IUPAC Name3-[cyano-(4-fluorophenyl)sulfonylmethyl]quinoxaline-2-carbonitrile
SMILESN#Cc1nc2ccccc2nc1C(C#N)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H9FN4O2S/c18-11-5-7-12(8-6-11)25(23,24)16(10-20)17-15(9-19)21-13-3-1-2-4-14(13)22-17/h1-8,16H
InChIKeyRBEGYKTXRGWHAU-UHFFFAOYSA-N
XLogP2.68
TPSA107.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[cyano-(4-fluorophenyl)sulfonylmethyl]quinoxaline-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[cyano-(4-fluorophenyl)sulfonylmethyl]quinoxaline-2-carbonitrile?
The IUPAC name of 3-[cyano-(4-fluorophenyl)sulfonylmethyl]quinoxaline-2-carbonitrile (CID 3891270) is 3-[cyano-(4-fluorophenyl)sulfonylmethyl]quinoxaline-2-carbonitrile.
What is the SMILES notation for 3-[cyano-(4-fluorophenyl)sulfonylmethyl]quinoxaline-2-carbonitrile?
The canonical SMILES for 3-[cyano-(4-fluorophenyl)sulfonylmethyl]quinoxaline-2-carbonitrile is N#Cc1nc2ccccc2nc1C(C#N)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 3-[cyano-(4-fluorophenyl)sulfonylmethyl]quinoxaline-2-carbonitrile?
The InChIKey is RBEGYKTXRGWHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9FN4O2S/c18-11-5-7-12(8-6-11)25(23,24)16(10-20)17-15(9-19)21-13-3-1-2-4-14(13)22-17/h1-8,16H.
What are the key properties of 3-[cyano-(4-fluorophenyl)sulfonylmethyl]quinoxaline-2-carbonitrile?
3-[cyano-(4-fluorophenyl)sulfonylmethyl]quinoxaline-2-carbonitrile has a molecular weight of 352.35 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyano-(4-fluorophenyl)sulfonylmethyl]quinoxaline-2-carbonitrile is sourced from PubChem (CID 3891270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).