4-[(E)-but-2-enoxy]-5-tert-butyl-2-methylbenzenesulfonamide

C15H23NO3S — CID 82914387

IUPAC4-[(E)-but-2-enoxy]-5-tert-butyl-2-methylbenzenesulfonamide
SMILESC/C=C/COc1cc(C)c(S(N)(=O)=O)cc1C(C)(C)C
InChIInChI=1S/C15H23NO3S/c1-6-7-8-19-13-9-11(2)14(20(16,17)18)10-12(13)15(3,4)5/h6-7,9-10H,8H2,1-5H3,(H2,16,17,18)/b7-6+
InChIKeyVVIJHAGZSYYVJR-VOTSOKGWSA-N
MW297.42 g/mol
LogP2.89
Rot. Bonds4

About 4-[(E)-but-2-enoxy]-5-tert-butyl-2-methylbenzenesulfonamide

4-[(E)-but-2-enoxy]-5-tert-butyl-2-methylbenzenesulfonamide (PubChem CID 82914387) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 4-[(E)-but-2-enoxy]-5-tert-butyl-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(E)-but-2-enoxy]-5-tert-butyl-2-methylbenzenesulfonamide
PubChem CID82914387
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name4-[(E)-but-2-enoxy]-5-tert-butyl-2-methylbenzenesulfonamide
SMILESC/C=C/COc1cc(C)c(S(N)(=O)=O)cc1C(C)(C)C
InChIInChI=1S/C15H23NO3S/c1-6-7-8-19-13-9-11(2)14(20(16,17)18)10-12(13)15(3,4)5/h6-7,9-10H,8H2,1-5H3,(H2,16,17,18)/b7-6+
InChIKeyVVIJHAGZSYYVJR-VOTSOKGWSA-N
XLogP2.89
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-but-2-enoxy]-5-methyl-2-propan-2-ylbenzenesulfonamide
CID 82919148
5-tert-butyl-2-methyl-4-(oxolan-3-yloxy)benzenesulfonamide
CID 63557177
4,5-dimethoxy-2-methylbenzenesulfonamide
CID 35299033
1-[(E)-but-2-enoxy]-4,5-difluoro-2-methylbenzene
CID 130512826
2-methyl-4-(3-methylbut-2-enoxy)-5-propan-2-ylbenzenesulfonamide
CID 82921411
8-[(E)-but-2-enoxy]quinoline-5-sulfonamide
CID 82921921
2-[(E)-but-2-enoxy]-5-methylbenzenesulfonyl chloride
CID 82909624
4-[(E)-but-2-enoxy]-2-methylbenzenesulfonyl chloride
CID 82915922
5-chloro-4-ethoxy-2-methylbenzenesulfonamide
CID 82297288
4-(2-methoxyethoxy)-2,5-dimethylbenzenesulfonamide
CID 43164561
2-methyl-4-(3-methylbut-2-enoxy)-5-nitrobenzenesulfonamide
CID 82921350
4-[(E)-3-chloroprop-2-enoxy]-2-methylbenzenesulfonamide
CID 82914363

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-but-2-enoxy]-5-tert-butyl-2-methylbenzenesulfonamide?
The IUPAC name of 4-[(E)-but-2-enoxy]-5-tert-butyl-2-methylbenzenesulfonamide (CID 82914387) is 4-[(E)-but-2-enoxy]-5-tert-butyl-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-[(E)-but-2-enoxy]-5-tert-butyl-2-methylbenzenesulfonamide?
The canonical SMILES for 4-[(E)-but-2-enoxy]-5-tert-butyl-2-methylbenzenesulfonamide is C/C=C/COc1cc(C)c(S(N)(=O)=O)cc1C(C)(C)C.
What is the InChIKey of 4-[(E)-but-2-enoxy]-5-tert-butyl-2-methylbenzenesulfonamide?
The InChIKey is VVIJHAGZSYYVJR-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-6-7-8-19-13-9-11(2)14(20(16,17)18)10-12(13)15(3,4)5/h6-7,9-10H,8H2,1-5H3,(H2,16,17,18)/b7-6+.
What are the key properties of 4-[(E)-but-2-enoxy]-5-tert-butyl-2-methylbenzenesulfonamide?
4-[(E)-but-2-enoxy]-5-tert-butyl-2-methylbenzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-but-2-enoxy]-5-tert-butyl-2-methylbenzenesulfonamide is sourced from PubChem (CID 82914387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).