5-(3-methylbut-3-enoxy)quinoline-8-sulfonamide

C14H16N2O3S — CID 103045343

IUPAC5-(3-methylbut-3-enoxy)quinoline-8-sulfonamide
SMILESC=C(C)CCOc1ccc(S(N)(=O)=O)c2ncccc12
InChIInChI=1S/C14H16N2O3S/c1-10(2)7-9-19-12-5-6-13(20(15,17)18)14-11(12)4-3-8-16-14/h3-6,8H,1,7,9H2,2H3,(H2,15,17,18)
InChIKeyPBAQXWACSHJJLZ-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.23
Rot. Bonds5

About 5-(3-methylbut-3-enoxy)quinoline-8-sulfonamide

5-(3-methylbut-3-enoxy)quinoline-8-sulfonamide (PubChem CID 103045343) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 5-(3-methylbut-3-enoxy)quinoline-8-sulfonamide.

Molecular Properties

Compound Name5-(3-methylbut-3-enoxy)quinoline-8-sulfonamide
PubChem CID103045343
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name5-(3-methylbut-3-enoxy)quinoline-8-sulfonamide
SMILESC=C(C)CCOc1ccc(S(N)(=O)=O)c2ncccc12
InChIInChI=1S/C14H16N2O3S/c1-10(2)7-9-19-12-5-6-13(20(15,17)18)14-11(12)4-3-8-16-14/h3-6,8H,1,7,9H2,2H3,(H2,15,17,18)
InChIKeyPBAQXWACSHJJLZ-UHFFFAOYSA-N
XLogP2.23
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-methylbut-3-enoxy)naphthalene-1-sulfonamide
CID 114473017
5-(2-methylidenebutoxy)quinoline-8-sulfonamide
CID 103045360
5-but-3-ynoxyquinoline-8-sulfonamide
CID 103045310
3-(5-sulfamoylquinolin-8-yl)oxypropanoic acid
CID 43342300
5-propan-2-yloxyquinoline-8-sulfonamide
CID 103045315
5-[(E)-3-chloroprop-2-enoxy]quinoline-8-sulfonamide
CID 103045348
5-(cyclobutylmethoxy)quinoline-8-sulfonamide
CID 103045327
5-fluoro-2-(3-methylbut-3-enoxy)benzenesulfonamide
CID 114473030
8-(3-fluoropropoxy)quinoline-5-sulfonamide
CID 81113157
8-[(E)-but-2-enoxy]quinoline-5-sulfonamide
CID 82921921
5-(4-methylpentoxy)quinoline-8-sulfonyl chloride
CID 103044656
3-chloro-4-(3-methylbut-3-enoxy)benzenesulfonamide
CID 114473013

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbut-3-enoxy)quinoline-8-sulfonamide?
The IUPAC name of 5-(3-methylbut-3-enoxy)quinoline-8-sulfonamide (CID 103045343) is 5-(3-methylbut-3-enoxy)quinoline-8-sulfonamide.
What is the SMILES notation for 5-(3-methylbut-3-enoxy)quinoline-8-sulfonamide?
The canonical SMILES for 5-(3-methylbut-3-enoxy)quinoline-8-sulfonamide is C=C(C)CCOc1ccc(S(N)(=O)=O)c2ncccc12.
What is the InChIKey of 5-(3-methylbut-3-enoxy)quinoline-8-sulfonamide?
The InChIKey is PBAQXWACSHJJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-10(2)7-9-19-12-5-6-13(20(15,17)18)14-11(12)4-3-8-16-14/h3-6,8H,1,7,9H2,2H3,(H2,15,17,18).
What are the key properties of 5-(3-methylbut-3-enoxy)quinoline-8-sulfonamide?
5-(3-methylbut-3-enoxy)quinoline-8-sulfonamide has a molecular weight of 292.36 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbut-3-enoxy)quinoline-8-sulfonamide is sourced from PubChem (CID 103045343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).