3-(benzenesulfonyl)pyrazine-2-carbonitrile

C11H7N3O2S — CID 10868548

IUPAC3-(benzenesulfonyl)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H7N3O2S/c12-8-10-11(14-7-6-13-10)17(15,16)9-4-2-1-3-5-9/h1-7H
InChIKeyVGUOAQYMXUDOTB-UHFFFAOYSA-N
MW245.26 g/mol
LogP1.18
Rot. Bonds2

About 3-(benzenesulfonyl)pyrazine-2-carbonitrile

3-(benzenesulfonyl)pyrazine-2-carbonitrile (PubChem CID 10868548) has the molecular formula C11H7N3O2S and a molecular weight of 245.26 g/mol. Its IUPAC name is 3-(benzenesulfonyl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(benzenesulfonyl)pyrazine-2-carbonitrile
PubChem CID10868548
Molecular FormulaC11H7N3O2S
Molecular Weight245.26 g/mol
Exact Mass245.03
IUPAC Name3-(benzenesulfonyl)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H7N3O2S/c12-8-10-11(14-7-6-13-10)17(15,16)9-4-2-1-3-5-9/h1-7H
InChIKeyVGUOAQYMXUDOTB-UHFFFAOYSA-N
XLogP1.18
TPSA83.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(benzenesulfonyl)pyrazine-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-(benzenesulfonyl)pyrazine-2-carbonitrile?
The IUPAC name of 3-(benzenesulfonyl)pyrazine-2-carbonitrile (CID 10868548) is 3-(benzenesulfonyl)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(benzenesulfonyl)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(benzenesulfonyl)pyrazine-2-carbonitrile is N#Cc1nccnc1S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)pyrazine-2-carbonitrile?
The InChIKey is VGUOAQYMXUDOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O2S/c12-8-10-11(14-7-6-13-10)17(15,16)9-4-2-1-3-5-9/h1-7H.
What are the key properties of 3-(benzenesulfonyl)pyrazine-2-carbonitrile?
3-(benzenesulfonyl)pyrazine-2-carbonitrile has a molecular weight of 245.26 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)pyrazine-2-carbonitrile is sourced from PubChem (CID 10868548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).