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

C18H18N2O4S — CID 7505989

IUPAC4-[(3-morpholin-4-ylsulfonylphenyl)methoxy]benzonitrile
SMILESN#Cc1ccc(OCc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C18H18N2O4S/c19-13-15-4-6-17(7-5-15)24-14-16-2-1-3-18(12-16)25(21,22)20-8-10-23-11-9-20/h1-7,12H,8-11,14H2
InChIKeyWGQPJNMJBARZFD-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.16
Rot. Bonds5

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

4-[(3-morpholin-4-ylsulfonylphenyl)methoxy]benzonitrile (PubChem CID 7505989) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is 4-[(3-morpholin-4-ylsulfonylphenyl)methoxy]benzonitrile.

Molecular Properties

Compound Name4-[(3-morpholin-4-ylsulfonylphenyl)methoxy]benzonitrile
PubChem CID7505989
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name4-[(3-morpholin-4-ylsulfonylphenyl)methoxy]benzonitrile
SMILESN#Cc1ccc(OCc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C18H18N2O4S/c19-13-15-4-6-17(7-5-15)24-14-16-2-1-3-18(12-16)25(21,22)20-8-10-23-11-9-20/h1-7,12H,8-11,14H2
InChIKeyWGQPJNMJBARZFD-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 4-[(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 4-[(3-morpholin-4-ylsulfonylphenyl)methoxy]benzonitrile?
The IUPAC name of 4-[(3-morpholin-4-ylsulfonylphenyl)methoxy]benzonitrile (CID 7505989) is 4-[(3-morpholin-4-ylsulfonylphenyl)methoxy]benzonitrile.
What is the SMILES notation for 4-[(3-morpholin-4-ylsulfonylphenyl)methoxy]benzonitrile?
The canonical SMILES for 4-[(3-morpholin-4-ylsulfonylphenyl)methoxy]benzonitrile is N#Cc1ccc(OCc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1.
What is the InChIKey of 4-[(3-morpholin-4-ylsulfonylphenyl)methoxy]benzonitrile?
The InChIKey is WGQPJNMJBARZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c19-13-15-4-6-17(7-5-15)24-14-16-2-1-3-18(12-16)25(21,22)20-8-10-23-11-9-20/h1-7,12H,8-11,14H2.
What are the key properties of 4-[(3-morpholin-4-ylsulfonylphenyl)methoxy]benzonitrile?
4-[(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 4-[(3-morpholin-4-ylsulfonylphenyl)methoxy]benzonitrile is sourced from PubChem (CID 7505989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).