5-(2-methylidenebutoxy)quinoline-8-sulfonamide

C14H16N2O3S — CID 103045360

IUPAC5-(2-methylidenebutoxy)quinoline-8-sulfonamide
SMILESC=C(CC)COc1ccc(S(N)(=O)=O)c2ncccc12
InChIInChI=1S/C14H16N2O3S/c1-3-10(2)9-19-12-6-7-13(20(15,17)18)14-11(12)5-4-8-16-14/h4-8H,2-3,9H2,1H3,(H2,15,17,18)
InChIKeyFSYSQMXBFMMTPG-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.23
Rot. Bonds5

About 5-(2-methylidenebutoxy)quinoline-8-sulfonamide

5-(2-methylidenebutoxy)quinoline-8-sulfonamide (PubChem CID 103045360) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 5-(2-methylidenebutoxy)quinoline-8-sulfonamide.

Molecular Properties

Compound Name5-(2-methylidenebutoxy)quinoline-8-sulfonamide
PubChem CID103045360
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name5-(2-methylidenebutoxy)quinoline-8-sulfonamide
SMILESC=C(CC)COc1ccc(S(N)(=O)=O)c2ncccc12
InChIInChI=1S/C14H16N2O3S/c1-3-10(2)9-19-12-6-7-13(20(15,17)18)14-11(12)5-4-8-16-14/h4-8H,2-3,9H2,1H3,(H2,15,17,18)
InChIKeyFSYSQMXBFMMTPG-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

5-(3-methylbut-3-enoxy)quinoline-8-sulfonamide
CID 103045343
5-propan-2-yloxyquinoline-8-sulfonamide
CID 103045315
5-but-3-ynoxyquinoline-8-sulfonamide
CID 103045310
5-[(E)-3-chloroprop-2-enoxy]quinoline-8-sulfonamide
CID 103045348
5-(cyclobutylmethoxy)quinoline-8-sulfonamide
CID 103045327
4-(2-methylidenebutoxy)-3-sulfamoylbenzoic acid
CID 82921849
5-[2-(methylamino)-2-oxoethoxy]quinoline-8-sulfonyl chloride
CID 103044651
8-(2,2,2-trifluoroethoxy)quinoline-5-sulfonamide
CID 43164351
2-chloro-8-(2-methylidenebutoxy)quinoline-5-sulfonyl chloride
CID 83172298
8-[(E)-but-2-enoxy]quinoline-5-sulfonamide
CID 82921921
3-(5-sulfamoylquinolin-8-yl)oxypropanoic acid
CID 43342300
2,3-dichloro-4-(2-methylidenebutoxy)benzenesulfonyl chloride
CID 82910055

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylidenebutoxy)quinoline-8-sulfonamide?
The IUPAC name of 5-(2-methylidenebutoxy)quinoline-8-sulfonamide (CID 103045360) is 5-(2-methylidenebutoxy)quinoline-8-sulfonamide.
What is the SMILES notation for 5-(2-methylidenebutoxy)quinoline-8-sulfonamide?
The canonical SMILES for 5-(2-methylidenebutoxy)quinoline-8-sulfonamide is C=C(CC)COc1ccc(S(N)(=O)=O)c2ncccc12.
What is the InChIKey of 5-(2-methylidenebutoxy)quinoline-8-sulfonamide?
The InChIKey is FSYSQMXBFMMTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-3-10(2)9-19-12-6-7-13(20(15,17)18)14-11(12)5-4-8-16-14/h4-8H,2-3,9H2,1H3,(H2,15,17,18).
What are the key properties of 5-(2-methylidenebutoxy)quinoline-8-sulfonamide?
5-(2-methylidenebutoxy)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-(2-methylidenebutoxy)quinoline-8-sulfonamide is sourced from PubChem (CID 103045360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).