3,4-dimethoxy-N-propan-2-ylbenzenesulfonamide

C11H17NO4S — CID 768979

IUPAC3,4-dimethoxy-N-propan-2-ylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)C)cc1OC
InChIInChI=1S/C11H17NO4S/c1-8(2)12-17(13,14)9-5-6-10(15-3)11(7-9)16-4/h5-8,12H,1-4H3
InChIKeyWCXJSSJTMZIDAN-UHFFFAOYSA-N
MW259.33 g/mol
LogP1.39
Rot. Bonds5

About 3,4-dimethoxy-N-propan-2-ylbenzenesulfonamide

3,4-dimethoxy-N-propan-2-ylbenzenesulfonamide (PubChem CID 768979) has the molecular formula C11H17NO4S and a molecular weight of 259.33 g/mol. Its IUPAC name is 3,4-dimethoxy-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-propan-2-ylbenzenesulfonamide
PubChem CID768979
Molecular FormulaC11H17NO4S
Molecular Weight259.33 g/mol
Exact Mass259.09
IUPAC Name3,4-dimethoxy-N-propan-2-ylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)C)cc1OC
InChIInChI=1S/C11H17NO4S/c1-8(2)12-17(13,14)9-5-6-10(15-3)11(7-9)16-4/h5-8,12H,1-4H3
InChIKeyWCXJSSJTMZIDAN-UHFFFAOYSA-N
XLogP1.39
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-propan-2-ylbenzenesulfonamide (CID 768979) is 3,4-dimethoxy-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-propan-2-ylbenzenesulfonamide is COc1ccc(S(=O)(=O)NC(C)C)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-propan-2-ylbenzenesulfonamide?
The InChIKey is WCXJSSJTMZIDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4S/c1-8(2)12-17(13,14)9-5-6-10(15-3)11(7-9)16-4/h5-8,12H,1-4H3.
What are the key properties of 3,4-dimethoxy-N-propan-2-ylbenzenesulfonamide?
3,4-dimethoxy-N-propan-2-ylbenzenesulfonamide has a molecular weight of 259.33 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 768979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).