2-[(3-morpholin-4-ylsulfonylphenyl)methoxy]benzonitrile

C18H18N2O4S — CID 4821439

IUPAC2-[(3-morpholin-4-ylsulfonylphenyl)methoxy]benzonitrile
SMILESN#Cc1ccccc1OCc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H18N2O4S/c19-13-16-5-1-2-7-18(16)24-14-15-4-3-6-17(12-15)25(21,22)20-8-10-23-11-9-20/h1-7,12H,8-11,14H2
InChIKeySZSFVMMEGNGHQF-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.16
Rot. Bonds5

About 2-[(3-morpholin-4-ylsulfonylphenyl)methoxy]benzonitrile

2-[(3-morpholin-4-ylsulfonylphenyl)methoxy]benzonitrile (PubChem CID 4821439) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is 2-[(3-morpholin-4-ylsulfonylphenyl)methoxy]benzonitrile.

Molecular Properties

Compound Name2-[(3-morpholin-4-ylsulfonylphenyl)methoxy]benzonitrile
PubChem CID4821439
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name2-[(3-morpholin-4-ylsulfonylphenyl)methoxy]benzonitrile
SMILESN#Cc1ccccc1OCc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H18N2O4S/c19-13-16-5-1-2-7-18(16)24-14-15-4-3-6-17(12-15)25(21,22)20-8-10-23-11-9-20/h1-7,12H,8-11,14H2
InChIKeySZSFVMMEGNGHQF-UHFFFAOYSA-N
XLogP2.16
TPSA79.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(3-morpholin-4-ylsulfonylphenyl)methoxy]benzonitrile 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 2-[(3-morpholin-4-ylsulfonylphenyl)methoxy]benzonitrile?
The IUPAC name of 2-[(3-morpholin-4-ylsulfonylphenyl)methoxy]benzonitrile (CID 4821439) is 2-[(3-morpholin-4-ylsulfonylphenyl)methoxy]benzonitrile.
What is the SMILES notation for 2-[(3-morpholin-4-ylsulfonylphenyl)methoxy]benzonitrile?
The canonical SMILES for 2-[(3-morpholin-4-ylsulfonylphenyl)methoxy]benzonitrile is N#Cc1ccccc1OCc1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 2-[(3-morpholin-4-ylsulfonylphenyl)methoxy]benzonitrile?
The InChIKey is SZSFVMMEGNGHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c19-13-16-5-1-2-7-18(16)24-14-15-4-3-6-17(12-15)25(21,22)20-8-10-23-11-9-20/h1-7,12H,8-11,14H2.
What are the key properties of 2-[(3-morpholin-4-ylsulfonylphenyl)methoxy]benzonitrile?
2-[(3-morpholin-4-ylsulfonylphenyl)methoxy]benzonitrile has a molecular weight of 358.42 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-morpholin-4-ylsulfonylphenyl)methoxy]benzonitrile is sourced from PubChem (CID 4821439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).