4-butyl-5-cyano-N-ethyl-1,6-dimethylcyclohexa-2,4-diene-1-sulfonamide

C15H24N2O2S — CID 150163367

IUPAC4-butyl-5-cyano-N-ethyl-1,6-dimethylcyclohexa-2,4-diene-1-sulfonamide
SMILESCCCCC1=C(C#N)C(C)C(C)(S(=O)(=O)NCC)C=C1
InChIInChI=1S/C15H24N2O2S/c1-5-7-8-13-9-10-15(4,12(3)14(13)11-16)20(18,19)17-6-2/h9-10,12,17H,5-8H2,1-4H3
InChIKeyFHXBCNYWHWTAJW-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.90
Rot. Bonds6

About 4-butyl-5-cyano-N-ethyl-1,6-dimethylcyclohexa-2,4-diene-1-sulfonamide

4-butyl-5-cyano-N-ethyl-1,6-dimethylcyclohexa-2,4-diene-1-sulfonamide (PubChem CID 150163367) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 4-butyl-5-cyano-N-ethyl-1,6-dimethylcyclohexa-2,4-diene-1-sulfonamide.

Molecular Properties

Compound Name4-butyl-5-cyano-N-ethyl-1,6-dimethylcyclohexa-2,4-diene-1-sulfonamide
PubChem CID150163367
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name4-butyl-5-cyano-N-ethyl-1,6-dimethylcyclohexa-2,4-diene-1-sulfonamide
SMILESCCCCC1=C(C#N)C(C)C(C)(S(=O)(=O)NCC)C=C1
InChIInChI=1S/C15H24N2O2S/c1-5-7-8-13-9-10-15(4,12(3)14(13)11-16)20(18,19)17-6-2/h9-10,12,17H,5-8H2,1-4H3
InChIKeyFHXBCNYWHWTAJW-UHFFFAOYSA-N
XLogP2.90
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-5-cyano-N-ethyl-1,6-dimethylcyclohexa-2,4-diene-1-sulfonamide?
The IUPAC name of 4-butyl-5-cyano-N-ethyl-1,6-dimethylcyclohexa-2,4-diene-1-sulfonamide (CID 150163367) is 4-butyl-5-cyano-N-ethyl-1,6-dimethylcyclohexa-2,4-diene-1-sulfonamide.
What is the SMILES notation for 4-butyl-5-cyano-N-ethyl-1,6-dimethylcyclohexa-2,4-diene-1-sulfonamide?
The canonical SMILES for 4-butyl-5-cyano-N-ethyl-1,6-dimethylcyclohexa-2,4-diene-1-sulfonamide is CCCCC1=C(C#N)C(C)C(C)(S(=O)(=O)NCC)C=C1.
What is the InChIKey of 4-butyl-5-cyano-N-ethyl-1,6-dimethylcyclohexa-2,4-diene-1-sulfonamide?
The InChIKey is FHXBCNYWHWTAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-5-7-8-13-9-10-15(4,12(3)14(13)11-16)20(18,19)17-6-2/h9-10,12,17H,5-8H2,1-4H3.
What are the key properties of 4-butyl-5-cyano-N-ethyl-1,6-dimethylcyclohexa-2,4-diene-1-sulfonamide?
4-butyl-5-cyano-N-ethyl-1,6-dimethylcyclohexa-2,4-diene-1-sulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-5-cyano-N-ethyl-1,6-dimethylcyclohexa-2,4-diene-1-sulfonamide is sourced from PubChem (CID 150163367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).