2,2-dimethyl-3,4-dihydrochromene-7-sulfonamide

C11H15NO3S — CID 142779358

IUPAC2,2-dimethyl-3,4-dihydrochromene-7-sulfonamide
SMILESCC1(C)CCc2ccc(S(N)(=O)=O)cc2O1
InChIInChI=1S/C11H15NO3S/c1-11(2)6-5-8-3-4-9(16(12,13)14)7-10(8)15-11/h3-4,7H,5-6H2,1-2H3,(H2,12,13,14)
InChIKeyZJJMJVQNDVXSFD-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.44
Rot. Bonds1

About 2,2-dimethyl-3,4-dihydrochromene-7-sulfonamide

2,2-dimethyl-3,4-dihydrochromene-7-sulfonamide (PubChem CID 142779358) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 2,2-dimethyl-3,4-dihydrochromene-7-sulfonamide.

Molecular Properties

Compound Name2,2-dimethyl-3,4-dihydrochromene-7-sulfonamide
PubChem CID142779358
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name2,2-dimethyl-3,4-dihydrochromene-7-sulfonamide
SMILESCC1(C)CCc2ccc(S(N)(=O)=O)cc2O1
InChIInChI=1S/C11H15NO3S/c1-11(2)6-5-8-3-4-9(16(12,13)14)7-10(8)15-11/h3-4,7H,5-6H2,1-2H3,(H2,12,13,14)
InChIKeyZJJMJVQNDVXSFD-UHFFFAOYSA-N
XLogP1.44
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-3,4-dihydrochromene-7-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3,4-dihydrochromene-7-sulfonamide?
The IUPAC name of 2,2-dimethyl-3,4-dihydrochromene-7-sulfonamide (CID 142779358) is 2,2-dimethyl-3,4-dihydrochromene-7-sulfonamide.
What is the SMILES notation for 2,2-dimethyl-3,4-dihydrochromene-7-sulfonamide?
The canonical SMILES for 2,2-dimethyl-3,4-dihydrochromene-7-sulfonamide is CC1(C)CCc2ccc(S(N)(=O)=O)cc2O1.
What is the InChIKey of 2,2-dimethyl-3,4-dihydrochromene-7-sulfonamide?
The InChIKey is ZJJMJVQNDVXSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-11(2)6-5-8-3-4-9(16(12,13)14)7-10(8)15-11/h3-4,7H,5-6H2,1-2H3,(H2,12,13,14).
What are the key properties of 2,2-dimethyl-3,4-dihydrochromene-7-sulfonamide?
2,2-dimethyl-3,4-dihydrochromene-7-sulfonamide has a molecular weight of 241.31 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3,4-dihydrochromene-7-sulfonamide is sourced from PubChem (CID 142779358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).