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

C19H17N3O3S — CID 2815814

IUPAC2-(4-piperidin-1-ylsulfonylphenoxy)benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1Oc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H17N3O3S/c20-13-15-5-4-6-16(14-21)19(15)25-17-7-9-18(10-8-17)26(23,24)22-11-2-1-3-12-22/h4-10H,1-3,11-12H2
InChIKeyZLIDPBDHNPPPIS-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.40
Rot. Bonds4

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

2-(4-piperidin-1-ylsulfonylphenoxy)benzene-1,3-dicarbonitrile (PubChem CID 2815814) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is 2-(4-piperidin-1-ylsulfonylphenoxy)benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-(4-piperidin-1-ylsulfonylphenoxy)benzene-1,3-dicarbonitrile
PubChem CID2815814
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name2-(4-piperidin-1-ylsulfonylphenoxy)benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1Oc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H17N3O3S/c20-13-15-5-4-6-16(14-21)19(15)25-17-7-9-18(10-8-17)26(23,24)22-11-2-1-3-12-22/h4-10H,1-3,11-12H2
InChIKeyZLIDPBDHNPPPIS-UHFFFAOYSA-N
XLogP3.40
TPSA94.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-piperidin-1-ylsulfonylphenoxy)benzene-1,3-dicarbonitrile?
The IUPAC name of 2-(4-piperidin-1-ylsulfonylphenoxy)benzene-1,3-dicarbonitrile (CID 2815814) is 2-(4-piperidin-1-ylsulfonylphenoxy)benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-(4-piperidin-1-ylsulfonylphenoxy)benzene-1,3-dicarbonitrile?
The canonical SMILES for 2-(4-piperidin-1-ylsulfonylphenoxy)benzene-1,3-dicarbonitrile is N#Cc1cccc(C#N)c1Oc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 2-(4-piperidin-1-ylsulfonylphenoxy)benzene-1,3-dicarbonitrile?
The InChIKey is ZLIDPBDHNPPPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c20-13-15-5-4-6-16(14-21)19(15)25-17-7-9-18(10-8-17)26(23,24)22-11-2-1-3-12-22/h4-10H,1-3,11-12H2.
What are the key properties of 2-(4-piperidin-1-ylsulfonylphenoxy)benzene-1,3-dicarbonitrile?
2-(4-piperidin-1-ylsulfonylphenoxy)benzene-1,3-dicarbonitrile has a molecular weight of 367.43 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-piperidin-1-ylsulfonylphenoxy)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 2815814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).