2-(4-morpholin-4-ylsulfonylphenoxy)benzene-1,3-dicarbonitrile

C18H15N3O4S — CID 2805883

IUPAC2-(4-morpholin-4-ylsulfonylphenoxy)benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1Oc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H15N3O4S/c19-12-14-2-1-3-15(13-20)18(14)25-16-4-6-17(7-5-16)26(22,23)21-8-10-24-11-9-21/h1-7H,8-11H2
InChIKeyHJRNPWDDKFBVJO-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.24
Rot. Bonds4

About 2-(4-morpholin-4-ylsulfonylphenoxy)benzene-1,3-dicarbonitrile

2-(4-morpholin-4-ylsulfonylphenoxy)benzene-1,3-dicarbonitrile (PubChem CID 2805883) has the molecular formula C18H15N3O4S and a molecular weight of 369.40 g/mol. Its IUPAC name is 2-(4-morpholin-4-ylsulfonylphenoxy)benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-(4-morpholin-4-ylsulfonylphenoxy)benzene-1,3-dicarbonitrile
PubChem CID2805883
Molecular FormulaC18H15N3O4S
Molecular Weight369.40 g/mol
Exact Mass369.08
IUPAC Name2-(4-morpholin-4-ylsulfonylphenoxy)benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1Oc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H15N3O4S/c19-12-14-2-1-3-15(13-20)18(14)25-16-4-6-17(7-5-16)26(22,23)21-8-10-24-11-9-21/h1-7H,8-11H2
InChIKeyHJRNPWDDKFBVJO-UHFFFAOYSA-N
XLogP2.24
TPSA103.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-4-ylsulfonylphenoxy)benzene-1,3-dicarbonitrile?
The IUPAC name of 2-(4-morpholin-4-ylsulfonylphenoxy)benzene-1,3-dicarbonitrile (CID 2805883) is 2-(4-morpholin-4-ylsulfonylphenoxy)benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-(4-morpholin-4-ylsulfonylphenoxy)benzene-1,3-dicarbonitrile?
The canonical SMILES for 2-(4-morpholin-4-ylsulfonylphenoxy)benzene-1,3-dicarbonitrile is N#Cc1cccc(C#N)c1Oc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-(4-morpholin-4-ylsulfonylphenoxy)benzene-1,3-dicarbonitrile?
The InChIKey is HJRNPWDDKFBVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4S/c19-12-14-2-1-3-15(13-20)18(14)25-16-4-6-17(7-5-16)26(22,23)21-8-10-24-11-9-21/h1-7H,8-11H2.
What are the key properties of 2-(4-morpholin-4-ylsulfonylphenoxy)benzene-1,3-dicarbonitrile?
2-(4-morpholin-4-ylsulfonylphenoxy)benzene-1,3-dicarbonitrile has a molecular weight of 369.40 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-morpholin-4-ylsulfonylphenoxy)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 2805883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).