3,4-dimethoxy-N-prop-2-enylbenzenesulfonamide

C11H15NO4S — CID 3114015

IUPAC3,4-dimethoxy-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C11H15NO4S/c1-4-7-12-17(13,14)9-5-6-10(15-2)11(8-9)16-3/h4-6,8,12H,1,7H2,2-3H3
InChIKeyPVELIBUTKRHESL-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.17
Rot. Bonds6

About 3,4-dimethoxy-N-prop-2-enylbenzenesulfonamide

3,4-dimethoxy-N-prop-2-enylbenzenesulfonamide (PubChem CID 3114015) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is 3,4-dimethoxy-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-prop-2-enylbenzenesulfonamide
PubChem CID3114015
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name3,4-dimethoxy-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C11H15NO4S/c1-4-7-12-17(13,14)9-5-6-10(15-2)11(8-9)16-3/h4-6,8,12H,1,7H2,2-3H3
InChIKeyPVELIBUTKRHESL-UHFFFAOYSA-N
XLogP1.17
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-prop-2-enylbenzenesulfonamide (CID 3114015) is 3,4-dimethoxy-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-prop-2-enylbenzenesulfonamide is C=CCNS(=O)(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of 3,4-dimethoxy-N-prop-2-enylbenzenesulfonamide?
The InChIKey is PVELIBUTKRHESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-4-7-12-17(13,14)9-5-6-10(15-2)11(8-9)16-3/h4-6,8,12H,1,7H2,2-3H3.
What are the key properties of 3,4-dimethoxy-N-prop-2-enylbenzenesulfonamide?
3,4-dimethoxy-N-prop-2-enylbenzenesulfonamide has a molecular weight of 257.31 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 3114015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).