4-but-3-enoxy-3-tert-butylbenzenesulfonamide

C14H21NO3S — CID 82915270

IUPAC4-but-3-enoxy-3-tert-butylbenzenesulfonamide
SMILESC=CCCOc1ccc(S(N)(=O)=O)cc1C(C)(C)C
InChIInChI=1S/C14H21NO3S/c1-5-6-9-18-13-8-7-11(19(15,16)17)10-12(13)14(2,3)4/h5,7-8,10H,1,6,9H2,2-4H3,(H2,15,16,17)
InChIKeyMYFJKGYUDGCAKS-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.59
Rot. Bonds5

About 4-but-3-enoxy-3-tert-butylbenzenesulfonamide

4-but-3-enoxy-3-tert-butylbenzenesulfonamide (PubChem CID 82915270) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 4-but-3-enoxy-3-tert-butylbenzenesulfonamide.

Molecular Properties

Compound Name4-but-3-enoxy-3-tert-butylbenzenesulfonamide
PubChem CID82915270
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name4-but-3-enoxy-3-tert-butylbenzenesulfonamide
SMILESC=CCCOc1ccc(S(N)(=O)=O)cc1C(C)(C)C
InChIInChI=1S/C14H21NO3S/c1-5-6-9-18-13-8-7-11(19(15,16)17)10-12(13)14(2,3)4/h5,7-8,10H,1,6,9H2,2-4H3,(H2,15,16,17)
InChIKeyMYFJKGYUDGCAKS-UHFFFAOYSA-N
XLogP2.59
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-but-3-enoxy-5-sulfamoylbenzoic acid
CID 43322681
2-(2-tert-butyl-4-sulfamoylphenoxy)acetamide
CID 82915001
3-bromo-4-hept-6-enoxybenzenesulfonamide
CID 107007678
2-pent-4-enoxy-5-sulfamoylbenzoic acid
CID 79114371
4-but-3-enoxy-3,5-dimethylbenzenesulfonamide
CID 82913781
3-methyl-4-prop-2-enoxybenzenesulfonamide
CID 82921078
3-tert-butyl-4-pentan-2-yloxybenzenesulfonamide
CID 114013779
3-tert-butyl-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonamide
CID 82913600
3-chloro-4-(3,3-dimethylbutoxy)benzenesulfonamide
CID 61481232
3-tert-butyl-4-cyclohex-2-en-1-yloxybenzenesulfonamide
CID 114620297
4-(2-tert-butylsulfonylethoxy)-3-chlorobenzenesulfonamide
CID 106726844
3-fluoro-4-(3-fluoropropoxy)benzenesulfonamide
CID 81113749

Frequently Asked Questions

What is the IUPAC name of 4-but-3-enoxy-3-tert-butylbenzenesulfonamide?
The IUPAC name of 4-but-3-enoxy-3-tert-butylbenzenesulfonamide (CID 82915270) is 4-but-3-enoxy-3-tert-butylbenzenesulfonamide.
What is the SMILES notation for 4-but-3-enoxy-3-tert-butylbenzenesulfonamide?
The canonical SMILES for 4-but-3-enoxy-3-tert-butylbenzenesulfonamide is C=CCCOc1ccc(S(N)(=O)=O)cc1C(C)(C)C.
What is the InChIKey of 4-but-3-enoxy-3-tert-butylbenzenesulfonamide?
The InChIKey is MYFJKGYUDGCAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-5-6-9-18-13-8-7-11(19(15,16)17)10-12(13)14(2,3)4/h5,7-8,10H,1,6,9H2,2-4H3,(H2,15,16,17).
What are the key properties of 4-but-3-enoxy-3-tert-butylbenzenesulfonamide?
4-but-3-enoxy-3-tert-butylbenzenesulfonamide has a molecular weight of 283.39 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enoxy-3-tert-butylbenzenesulfonamide is sourced from PubChem (CID 82915270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).