5-but-3-ynoxyquinoline-8-sulfonamide

C13H12N2O3S — CID 103045310

IUPAC5-but-3-ynoxyquinoline-8-sulfonamide
SMILESC#CCCOc1ccc(S(N)(=O)=O)c2ncccc12
InChIInChI=1S/C13H12N2O3S/c1-2-3-9-18-11-6-7-12(19(14,16)17)13-10(11)5-4-8-15-13/h1,4-8H,3,9H2,(H2,14,16,17)
InChIKeyLSOUGOIDIKGQQK-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.28
Rot. Bonds4

About 5-but-3-ynoxyquinoline-8-sulfonamide

5-but-3-ynoxyquinoline-8-sulfonamide (PubChem CID 103045310) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is 5-but-3-ynoxyquinoline-8-sulfonamide.

Molecular Properties

Compound Name5-but-3-ynoxyquinoline-8-sulfonamide
PubChem CID103045310
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Name5-but-3-ynoxyquinoline-8-sulfonamide
SMILESC#CCCOc1ccc(S(N)(=O)=O)c2ncccc12
InChIInChI=1S/C13H12N2O3S/c1-2-3-9-18-11-6-7-12(19(14,16)17)13-10(11)5-4-8-15-13/h1,4-8H,3,9H2,(H2,14,16,17)
InChIKeyLSOUGOIDIKGQQK-UHFFFAOYSA-N
XLogP1.28
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(3-methylbut-3-enoxy)quinoline-8-sulfonamide
CID 103045343
5-[(E)-3-chloroprop-2-enoxy]quinoline-8-sulfonamide
CID 103045348
5-(cyclobutylmethoxy)quinoline-8-sulfonamide
CID 103045327
5-propan-2-yloxyquinoline-8-sulfonamide
CID 103045315
5-(2-methylidenebutoxy)quinoline-8-sulfonamide
CID 103045360
8-(3-fluoropropoxy)quinoline-5-sulfonamide
CID 81113157
3-(5-sulfamoylquinolin-8-yl)oxypropanoic acid
CID 43342300
5-bromo-2-but-3-ynoxybenzenesulfonamide
CID 82915032
8-phenylmethoxyquinoline-5-sulfonamide
CID 60758024
8-(2,2,2-trifluoroethoxy)quinoline-5-sulfonamide
CID 43164351
5-(4-methylpentoxy)quinoline-8-sulfonyl chloride
CID 103044656
8-[(E)-but-2-enoxy]quinoline-5-sulfonamide
CID 82921921

Frequently Asked Questions

What is the IUPAC name of 5-but-3-ynoxyquinoline-8-sulfonamide?
The IUPAC name of 5-but-3-ynoxyquinoline-8-sulfonamide (CID 103045310) is 5-but-3-ynoxyquinoline-8-sulfonamide.
What is the SMILES notation for 5-but-3-ynoxyquinoline-8-sulfonamide?
The canonical SMILES for 5-but-3-ynoxyquinoline-8-sulfonamide is C#CCCOc1ccc(S(N)(=O)=O)c2ncccc12.
What is the InChIKey of 5-but-3-ynoxyquinoline-8-sulfonamide?
The InChIKey is LSOUGOIDIKGQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-2-3-9-18-11-6-7-12(19(14,16)17)13-10(11)5-4-8-15-13/h1,4-8H,3,9H2,(H2,14,16,17).
What are the key properties of 5-but-3-ynoxyquinoline-8-sulfonamide?
5-but-3-ynoxyquinoline-8-sulfonamide has a molecular weight of 276.32 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-3-ynoxyquinoline-8-sulfonamide is sourced from PubChem (CID 103045310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).