5-(4-methoxyphenyl)sulfonylfuran-2-carbonitrile

C12H9NO4S — CID 3058866

IUPAC5-(4-methoxyphenyl)sulfonylfuran-2-carbonitrile
SMILESCOc1ccc(S(=O)(=O)c2ccc(C#N)o2)cc1
InChIInChI=1S/C12H9NO4S/c1-16-9-2-5-11(6-3-9)18(14,15)12-7-4-10(8-13)17-12/h2-7H,1H3
InChIKeyRNXZEIGKTDHLOB-UHFFFAOYSA-N
MW263.27 g/mol
LogP1.99
Rot. Bonds3

About 5-(4-methoxyphenyl)sulfonylfuran-2-carbonitrile

5-(4-methoxyphenyl)sulfonylfuran-2-carbonitrile (PubChem CID 3058866) has the molecular formula C12H9NO4S and a molecular weight of 263.27 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)sulfonylfuran-2-carbonitrile.

Molecular Properties

Compound Name5-(4-methoxyphenyl)sulfonylfuran-2-carbonitrile
PubChem CID3058866
Molecular FormulaC12H9NO4S
Molecular Weight263.27 g/mol
Exact Mass263.03
IUPAC Name5-(4-methoxyphenyl)sulfonylfuran-2-carbonitrile
SMILESCOc1ccc(S(=O)(=O)c2ccc(C#N)o2)cc1
InChIInChI=1S/C12H9NO4S/c1-16-9-2-5-11(6-3-9)18(14,15)12-7-4-10(8-13)17-12/h2-7H,1H3
InChIKeyRNXZEIGKTDHLOB-UHFFFAOYSA-N
XLogP1.99
TPSA80.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(4-methoxyphenyl)sulfonylfuran-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 5-(4-methoxyphenyl)sulfonylfuran-2-carbonitrile?
The IUPAC name of 5-(4-methoxyphenyl)sulfonylfuran-2-carbonitrile (CID 3058866) is 5-(4-methoxyphenyl)sulfonylfuran-2-carbonitrile.
What is the SMILES notation for 5-(4-methoxyphenyl)sulfonylfuran-2-carbonitrile?
The canonical SMILES for 5-(4-methoxyphenyl)sulfonylfuran-2-carbonitrile is COc1ccc(S(=O)(=O)c2ccc(C#N)o2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)sulfonylfuran-2-carbonitrile?
The InChIKey is RNXZEIGKTDHLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO4S/c1-16-9-2-5-11(6-3-9)18(14,15)12-7-4-10(8-13)17-12/h2-7H,1H3.
What are the key properties of 5-(4-methoxyphenyl)sulfonylfuran-2-carbonitrile?
5-(4-methoxyphenyl)sulfonylfuran-2-carbonitrile has a molecular weight of 263.27 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)sulfonylfuran-2-carbonitrile is sourced from PubChem (CID 3058866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).