4-(2,2-dimethylpropyl)-6,6-dimethylcyclohexa-2,4-diene-1-sulfonamide

C13H23NO2S — CID 19095765

IUPAC4-(2,2-dimethylpropyl)-6,6-dimethylcyclohexa-2,4-diene-1-sulfonamide
SMILESCC(C)(C)CC1=CC(C)(C)C(S(N)(=O)=O)C=C1
InChIInChI=1S/C13H23NO2S/c1-12(2,3)8-10-6-7-11(17(14,15)16)13(4,5)9-10/h6-7,9,11H,8H2,1-5H3,(H2,14,15,16)
InChIKeyQLQHUKWJTFLDPB-UHFFFAOYSA-N
MW257.40 g/mol
LogP2.60
Rot. Bonds2

About 4-(2,2-dimethylpropyl)-6,6-dimethylcyclohexa-2,4-diene-1-sulfonamide

4-(2,2-dimethylpropyl)-6,6-dimethylcyclohexa-2,4-diene-1-sulfonamide (PubChem CID 19095765) has the molecular formula C13H23NO2S and a molecular weight of 257.40 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-6,6-dimethylcyclohexa-2,4-diene-1-sulfonamide.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-6,6-dimethylcyclohexa-2,4-diene-1-sulfonamide
PubChem CID19095765
Molecular FormulaC13H23NO2S
Molecular Weight257.40 g/mol
Exact Mass257.14
IUPAC Name4-(2,2-dimethylpropyl)-6,6-dimethylcyclohexa-2,4-diene-1-sulfonamide
SMILESCC(C)(C)CC1=CC(C)(C)C(S(N)(=O)=O)C=C1
InChIInChI=1S/C13H23NO2S/c1-12(2,3)8-10-6-7-11(17(14,15)16)13(4,5)9-10/h6-7,9,11H,8H2,1-5H3,(H2,14,15,16)
InChIKeyQLQHUKWJTFLDPB-UHFFFAOYSA-N
XLogP2.60
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-6,6-dimethylcyclohexa-2,4-diene-1-sulfonamide?
The IUPAC name of 4-(2,2-dimethylpropyl)-6,6-dimethylcyclohexa-2,4-diene-1-sulfonamide (CID 19095765) is 4-(2,2-dimethylpropyl)-6,6-dimethylcyclohexa-2,4-diene-1-sulfonamide.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-6,6-dimethylcyclohexa-2,4-diene-1-sulfonamide?
The canonical SMILES for 4-(2,2-dimethylpropyl)-6,6-dimethylcyclohexa-2,4-diene-1-sulfonamide is CC(C)(C)CC1=CC(C)(C)C(S(N)(=O)=O)C=C1.
What is the InChIKey of 4-(2,2-dimethylpropyl)-6,6-dimethylcyclohexa-2,4-diene-1-sulfonamide?
The InChIKey is QLQHUKWJTFLDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2S/c1-12(2,3)8-10-6-7-11(17(14,15)16)13(4,5)9-10/h6-7,9,11H,8H2,1-5H3,(H2,14,15,16).
What are the key properties of 4-(2,2-dimethylpropyl)-6,6-dimethylcyclohexa-2,4-diene-1-sulfonamide?
4-(2,2-dimethylpropyl)-6,6-dimethylcyclohexa-2,4-diene-1-sulfonamide has a molecular weight of 257.40 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-6,6-dimethylcyclohexa-2,4-diene-1-sulfonamide is sourced from PubChem (CID 19095765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).