8-[(E)-but-2-enoxy]quinoline-5-sulfonamide

C13H14N2O3S — CID 82921921

IUPAC8-[(E)-but-2-enoxy]quinoline-5-sulfonamide
SMILESC/C=C/COc1ccc(S(N)(=O)=O)c2cccnc12
InChIInChI=1S/C13H14N2O3S/c1-2-3-9-18-11-6-7-12(19(14,16)17)10-5-4-8-15-13(10)11/h2-8H,9H2,1H3,(H2,14,16,17)/b3-2+
InChIKeyARWWWXJSOQCZFM-NSCUHMNNSA-N
MW278.33 g/mol
LogP1.84
Rot. Bonds4

About 8-[(E)-but-2-enoxy]quinoline-5-sulfonamide

8-[(E)-but-2-enoxy]quinoline-5-sulfonamide (PubChem CID 82921921) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 8-[(E)-but-2-enoxy]quinoline-5-sulfonamide.

Molecular Properties

Compound Name8-[(E)-but-2-enoxy]quinoline-5-sulfonamide
PubChem CID82921921
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name8-[(E)-but-2-enoxy]quinoline-5-sulfonamide
SMILESC/C=C/COc1ccc(S(N)(=O)=O)c2cccnc12
InChIInChI=1S/C13H14N2O3S/c1-2-3-9-18-11-6-7-12(19(14,16)17)10-5-4-8-15-13(10)11/h2-8H,9H2,1H3,(H2,14,16,17)/b3-2+
InChIKeyARWWWXJSOQCZFM-NSCUHMNNSA-N
XLogP1.84
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.84
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-[(E)-3-chloroprop-2-enoxy]quinoline-8-sulfonamide
CID 103045348
3-(5-sulfamoylquinolin-8-yl)oxypropanoic acid
CID 43342300
8-(3-fluoropropoxy)quinoline-5-sulfonamide
CID 81113157
8-phenylmethoxyquinoline-5-sulfonamide
CID 60758024
8-(2,2,2-trifluoroethoxy)quinoline-5-sulfonamide
CID 43164351
8-[(E)-but-2-enoxy]-2-chloroquinoline-5-sulfonyl chloride
CID 83224887
5-propan-2-yloxyquinoline-8-sulfonamide
CID 103045315
2-chloro-8-prop-2-enoxyquinoline-5-sulfonamide
CID 83224888
5-(3-methylbut-3-enoxy)quinoline-8-sulfonamide
CID 103045343
5,7-dibromo-8-but-2-enoxyquinoline
CID 4859559
8-Ethoxy-5-quinolinesulfonic acid sodium salt monohydrate
CID 45157436
8-[(E)-3-chloroprop-2-enoxy]quinolin-5-amine
CID 107899466

Frequently Asked Questions

What is the IUPAC name of 8-[(E)-but-2-enoxy]quinoline-5-sulfonamide?
The IUPAC name of 8-[(E)-but-2-enoxy]quinoline-5-sulfonamide (CID 82921921) is 8-[(E)-but-2-enoxy]quinoline-5-sulfonamide.
What is the SMILES notation for 8-[(E)-but-2-enoxy]quinoline-5-sulfonamide?
The canonical SMILES for 8-[(E)-but-2-enoxy]quinoline-5-sulfonamide is C/C=C/COc1ccc(S(N)(=O)=O)c2cccnc12.
What is the InChIKey of 8-[(E)-but-2-enoxy]quinoline-5-sulfonamide?
The InChIKey is ARWWWXJSOQCZFM-NSCUHMNNSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-2-3-9-18-11-6-7-12(19(14,16)17)10-5-4-8-15-13(10)11/h2-8H,9H2,1H3,(H2,14,16,17)/b3-2+.
What are the key properties of 8-[(E)-but-2-enoxy]quinoline-5-sulfonamide?
8-[(E)-but-2-enoxy]quinoline-5-sulfonamide has a molecular weight of 278.33 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(E)-but-2-enoxy]quinoline-5-sulfonamide is sourced from PubChem (CID 82921921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).