2,6-dimethoxy-1-methylcyclohexa-2,4-diene-1-sulfonamide

C9H15NO4S — CID 90345167

IUPAC2,6-dimethoxy-1-methylcyclohexa-2,4-diene-1-sulfonamide
SMILESCOC1=CC=CC(OC)C1(C)S(N)(=O)=O
InChIInChI=1S/C9H15NO4S/c1-9(15(10,11)12)7(13-2)5-4-6-8(9)14-3/h4-7H,1-3H3,(H2,10,11,12)
InChIKeyWZIMBSOQLNGARD-UHFFFAOYSA-N
MW233.29 g/mol
LogP0.15
Rot. Bonds3

About 2,6-dimethoxy-1-methylcyclohexa-2,4-diene-1-sulfonamide

2,6-dimethoxy-1-methylcyclohexa-2,4-diene-1-sulfonamide (PubChem CID 90345167) has the molecular formula C9H15NO4S and a molecular weight of 233.29 g/mol. Its IUPAC name is 2,6-dimethoxy-1-methylcyclohexa-2,4-diene-1-sulfonamide.

Molecular Properties

Compound Name2,6-dimethoxy-1-methylcyclohexa-2,4-diene-1-sulfonamide
PubChem CID90345167
Molecular FormulaC9H15NO4S
Molecular Weight233.29 g/mol
Exact Mass233.07
IUPAC Name2,6-dimethoxy-1-methylcyclohexa-2,4-diene-1-sulfonamide
SMILESCOC1=CC=CC(OC)C1(C)S(N)(=O)=O
InChIInChI=1S/C9H15NO4S/c1-9(15(10,11)12)7(13-2)5-4-6-8(9)14-3/h4-7H,1-3H3,(H2,10,11,12)
InChIKeyWZIMBSOQLNGARD-UHFFFAOYSA-N
XLogP0.15
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,6-dimethoxy-1-methylcyclohexa-2,4-diene-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-Dimethoxy-2,3-dihydronaphthalene-1-sulfonate
CID 22895824
3-Chloro-6-ethoxy-1-methylcyclohexa-2,4-diene-1-sulfonamide
CID 70190775
N-hydroxy-6-methoxy-3a,7a-dihydro-1-benzofuran-2-sulfonamide
CID 135211707
1,4-Dimethoxycyclohexa-2,4-diene-1-sulfonamide
CID 139712463
1,4-Diethoxycyclohexa-2,4-diene-1-sulfonamide
CID 139712464
Azanium 6-methyl-6-prop-1-enoxycyclohexa-2,4-diene-1-sulfonate
CID 140206219
3-prop-2-enyl-2H-pyran-4-sulfonamide
CID 145359194
1-Cyclopentyloxy-4-methoxycyclohexa-2,4-diene-1-sulfonamide
CID 152748393
1-Propan-2-yloxycyclohexa-2,4-diene-1-sulfonamide
CID 153673122
1-Butan-2-yloxy-4-methoxycyclohexa-2,4-diene-1-sulfonamide
CID 153764911
4-Methoxy-1-(2-methylpropoxy)cyclohexa-2,4-diene-1-sulfonamide
CID 153764914
6-methoxy-3,5-dihydro-2H-1-benzofuran-6-sulfonamide
CID 178687520

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-1-methylcyclohexa-2,4-diene-1-sulfonamide?
The IUPAC name of 2,6-dimethoxy-1-methylcyclohexa-2,4-diene-1-sulfonamide (CID 90345167) is 2,6-dimethoxy-1-methylcyclohexa-2,4-diene-1-sulfonamide.
What is the SMILES notation for 2,6-dimethoxy-1-methylcyclohexa-2,4-diene-1-sulfonamide?
The canonical SMILES for 2,6-dimethoxy-1-methylcyclohexa-2,4-diene-1-sulfonamide is COC1=CC=CC(OC)C1(C)S(N)(=O)=O.
What is the InChIKey of 2,6-dimethoxy-1-methylcyclohexa-2,4-diene-1-sulfonamide?
The InChIKey is WZIMBSOQLNGARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4S/c1-9(15(10,11)12)7(13-2)5-4-6-8(9)14-3/h4-7H,1-3H3,(H2,10,11,12).
What are the key properties of 2,6-dimethoxy-1-methylcyclohexa-2,4-diene-1-sulfonamide?
2,6-dimethoxy-1-methylcyclohexa-2,4-diene-1-sulfonamide has a molecular weight of 233.29 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-1-methylcyclohexa-2,4-diene-1-sulfonamide is sourced from PubChem (CID 90345167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).