1-[4-(2,6-dicyanophenoxy)phenyl]sulfonylpiperidine-4-carboxamide

C20H18N4O4S — CID 2815815

IUPAC1-[4-(2,6-dicyanophenoxy)phenyl]sulfonylpiperidine-4-carboxamide
SMILESN#Cc1cccc(C#N)c1Oc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C20H18N4O4S/c21-12-15-2-1-3-16(13-22)19(15)28-17-4-6-18(7-5-17)29(26,27)24-10-8-14(9-11-24)20(23)25/h1-7,14H,8-11H2,(H2,23,25)
InChIKeyYDIXEQGVTHDVHP-UHFFFAOYSA-N
MW410.46 g/mol
LogP2.11
Rot. Bonds5

About 1-[4-(2,6-dicyanophenoxy)phenyl]sulfonylpiperidine-4-carboxamide

1-[4-(2,6-dicyanophenoxy)phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 2815815) has the molecular formula C20H18N4O4S and a molecular weight of 410.46 g/mol. Its IUPAC name is 1-[4-(2,6-dicyanophenoxy)phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(2,6-dicyanophenoxy)phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID2815815
Molecular FormulaC20H18N4O4S
Molecular Weight410.46 g/mol
Exact Mass410.10
IUPAC Name1-[4-(2,6-dicyanophenoxy)phenyl]sulfonylpiperidine-4-carboxamide
SMILESN#Cc1cccc(C#N)c1Oc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C20H18N4O4S/c21-12-15-2-1-3-16(13-22)19(15)28-17-4-6-18(7-5-17)29(26,27)24-10-8-14(9-11-24)20(23)25/h1-7,14H,8-11H2,(H2,23,25)
InChIKeyYDIXEQGVTHDVHP-UHFFFAOYSA-N
XLogP2.11
TPSA137.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.46
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,6-dicyanophenoxy)phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-[4-(2,6-dicyanophenoxy)phenyl]sulfonylpiperidine-4-carboxamide (CID 2815815) is 1-[4-(2,6-dicyanophenoxy)phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(2,6-dicyanophenoxy)phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-[4-(2,6-dicyanophenoxy)phenyl]sulfonylpiperidine-4-carboxamide is N#Cc1cccc(C#N)c1Oc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1.
What is the InChIKey of 1-[4-(2,6-dicyanophenoxy)phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is YDIXEQGVTHDVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4S/c21-12-15-2-1-3-16(13-22)19(15)28-17-4-6-18(7-5-17)29(26,27)24-10-8-14(9-11-24)20(23)25/h1-7,14H,8-11H2,(H2,23,25).
What are the key properties of 1-[4-(2,6-dicyanophenoxy)phenyl]sulfonylpiperidine-4-carboxamide?
1-[4-(2,6-dicyanophenoxy)phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 410.46 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,6-dicyanophenoxy)phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 2815815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).