5-cyano-N,1,6-trimethyl-4-propylcyclohexa-2,4-diene-1-sulfonamide

C13H20N2O2S — CID 150019872

IUPAC5-cyano-N,1,6-trimethyl-4-propylcyclohexa-2,4-diene-1-sulfonamide
SMILESCCCC1=C(C#N)C(C)C(C)(S(=O)(=O)NC)C=C1
InChIInChI=1S/C13H20N2O2S/c1-5-6-11-7-8-13(3,18(16,17)15-4)10(2)12(11)9-14/h7-8,10,15H,5-6H2,1-4H3
InChIKeyDFARLGLQJNUDGJ-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.12
Rot. Bonds4

About 5-cyano-N,1,6-trimethyl-4-propylcyclohexa-2,4-diene-1-sulfonamide

5-cyano-N,1,6-trimethyl-4-propylcyclohexa-2,4-diene-1-sulfonamide (PubChem CID 150019872) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 5-cyano-N,1,6-trimethyl-4-propylcyclohexa-2,4-diene-1-sulfonamide.

Molecular Properties

Compound Name5-cyano-N,1,6-trimethyl-4-propylcyclohexa-2,4-diene-1-sulfonamide
PubChem CID150019872
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name5-cyano-N,1,6-trimethyl-4-propylcyclohexa-2,4-diene-1-sulfonamide
SMILESCCCC1=C(C#N)C(C)C(C)(S(=O)(=O)NC)C=C1
InChIInChI=1S/C13H20N2O2S/c1-5-6-11-7-8-13(3,18(16,17)15-4)10(2)12(11)9-14/h7-8,10,15H,5-6H2,1-4H3
InChIKeyDFARLGLQJNUDGJ-UHFFFAOYSA-N
XLogP2.12
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N,1,6-trimethyl-4-propylcyclohexa-2,4-diene-1-sulfonamide?
The IUPAC name of 5-cyano-N,1,6-trimethyl-4-propylcyclohexa-2,4-diene-1-sulfonamide (CID 150019872) is 5-cyano-N,1,6-trimethyl-4-propylcyclohexa-2,4-diene-1-sulfonamide.
What is the SMILES notation for 5-cyano-N,1,6-trimethyl-4-propylcyclohexa-2,4-diene-1-sulfonamide?
The canonical SMILES for 5-cyano-N,1,6-trimethyl-4-propylcyclohexa-2,4-diene-1-sulfonamide is CCCC1=C(C#N)C(C)C(C)(S(=O)(=O)NC)C=C1.
What is the InChIKey of 5-cyano-N,1,6-trimethyl-4-propylcyclohexa-2,4-diene-1-sulfonamide?
The InChIKey is DFARLGLQJNUDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-5-6-11-7-8-13(3,18(16,17)15-4)10(2)12(11)9-14/h7-8,10,15H,5-6H2,1-4H3.
What are the key properties of 5-cyano-N,1,6-trimethyl-4-propylcyclohexa-2,4-diene-1-sulfonamide?
5-cyano-N,1,6-trimethyl-4-propylcyclohexa-2,4-diene-1-sulfonamide has a molecular weight of 268.38 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N,1,6-trimethyl-4-propylcyclohexa-2,4-diene-1-sulfonamide is sourced from PubChem (CID 150019872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).