5-cyano-N,N,1,6-tetramethylcyclohexa-2,4-diene-1-sulfonamide

C11H16N2O2S — CID 150285393

IUPAC5-cyano-N,N,1,6-tetramethylcyclohexa-2,4-diene-1-sulfonamide
SMILESCC1C(C#N)=CC=CC1(C)S(=O)(=O)N(C)C
InChIInChI=1S/C11H16N2O2S/c1-9-10(8-12)6-5-7-11(9,2)16(14,15)13(3)4/h5-7,9H,1-4H3
InChIKeyGGLWSQAMUPXLJC-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.29
Rot. Bonds2

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

5-cyano-N,N,1,6-tetramethylcyclohexa-2,4-diene-1-sulfonamide (PubChem CID 150285393) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 5-cyano-N,N,1,6-tetramethylcyclohexa-2,4-diene-1-sulfonamide.

Molecular Properties

Compound Name5-cyano-N,N,1,6-tetramethylcyclohexa-2,4-diene-1-sulfonamide
PubChem CID150285393
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name5-cyano-N,N,1,6-tetramethylcyclohexa-2,4-diene-1-sulfonamide
SMILESCC1C(C#N)=CC=CC1(C)S(=O)(=O)N(C)C
InChIInChI=1S/C11H16N2O2S/c1-9-10(8-12)6-5-7-11(9,2)16(14,15)13(3)4/h5-7,9H,1-4H3
InChIKeyGGLWSQAMUPXLJC-UHFFFAOYSA-N
XLogP1.29
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N,N,1,6-tetramethylcyclohexa-2,4-diene-1-sulfonamide?
The IUPAC name of 5-cyano-N,N,1,6-tetramethylcyclohexa-2,4-diene-1-sulfonamide (CID 150285393) is 5-cyano-N,N,1,6-tetramethylcyclohexa-2,4-diene-1-sulfonamide.
What is the SMILES notation for 5-cyano-N,N,1,6-tetramethylcyclohexa-2,4-diene-1-sulfonamide?
The canonical SMILES for 5-cyano-N,N,1,6-tetramethylcyclohexa-2,4-diene-1-sulfonamide is CC1C(C#N)=CC=CC1(C)S(=O)(=O)N(C)C.
What is the InChIKey of 5-cyano-N,N,1,6-tetramethylcyclohexa-2,4-diene-1-sulfonamide?
The InChIKey is GGLWSQAMUPXLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-9-10(8-12)6-5-7-11(9,2)16(14,15)13(3)4/h5-7,9H,1-4H3.
What are the key properties of 5-cyano-N,N,1,6-tetramethylcyclohexa-2,4-diene-1-sulfonamide?
5-cyano-N,N,1,6-tetramethylcyclohexa-2,4-diene-1-sulfonamide has a molecular weight of 240.33 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N,N,1,6-tetramethylcyclohexa-2,4-diene-1-sulfonamide is sourced from PubChem (CID 150285393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).