2-methyl-4-(3-methylbut-2-enoxy)-5-propan-2-ylbenzenesulfonamide

C15H23NO3S — CID 82921411

IUPAC2-methyl-4-(3-methylbut-2-enoxy)-5-propan-2-ylbenzenesulfonamide
SMILESCC(C)=CCOc1cc(C)c(S(N)(=O)=O)cc1C(C)C
InChIInChI=1S/C15H23NO3S/c1-10(2)6-7-19-14-8-12(5)15(20(16,17)18)9-13(14)11(3)4/h6,8-9,11H,7H2,1-5H3,(H2,16,17,18)
InChIKeyRKDYIUVTRWFMTA-UHFFFAOYSA-N
MW297.42 g/mol
LogP3.11
Rot. Bonds5

About 2-methyl-4-(3-methylbut-2-enoxy)-5-propan-2-ylbenzenesulfonamide

2-methyl-4-(3-methylbut-2-enoxy)-5-propan-2-ylbenzenesulfonamide (PubChem CID 82921411) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-methyl-4-(3-methylbut-2-enoxy)-5-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-methyl-4-(3-methylbut-2-enoxy)-5-propan-2-ylbenzenesulfonamide
PubChem CID82921411
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name2-methyl-4-(3-methylbut-2-enoxy)-5-propan-2-ylbenzenesulfonamide
SMILESCC(C)=CCOc1cc(C)c(S(N)(=O)=O)cc1C(C)C
InChIInChI=1S/C15H23NO3S/c1-10(2)6-7-19-14-8-12(5)15(20(16,17)18)9-13(14)11(3)4/h6,8-9,11H,7H2,1-5H3,(H2,16,17,18)
InChIKeyRKDYIUVTRWFMTA-UHFFFAOYSA-N
XLogP3.11
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-methyl-4-(3-methylbut-2-enoxy)-5-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-methyl-4-(3-methylbut-2-enoxy)-5-propan-2-ylbenzenesulfonamide (CID 82921411) is 2-methyl-4-(3-methylbut-2-enoxy)-5-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-methyl-4-(3-methylbut-2-enoxy)-5-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-methyl-4-(3-methylbut-2-enoxy)-5-propan-2-ylbenzenesulfonamide is CC(C)=CCOc1cc(C)c(S(N)(=O)=O)cc1C(C)C.
What is the InChIKey of 2-methyl-4-(3-methylbut-2-enoxy)-5-propan-2-ylbenzenesulfonamide?
The InChIKey is RKDYIUVTRWFMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-10(2)6-7-19-14-8-12(5)15(20(16,17)18)9-13(14)11(3)4/h6,8-9,11H,7H2,1-5H3,(H2,16,17,18).
What are the key properties of 2-methyl-4-(3-methylbut-2-enoxy)-5-propan-2-ylbenzenesulfonamide?
2-methyl-4-(3-methylbut-2-enoxy)-5-propan-2-ylbenzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-methylbut-2-enoxy)-5-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 82921411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).