2-chloro-8-pent-4-enoxyquinoline-5-sulfonamide

C14H15ClN2O3S — CID 83171367

IUPAC2-chloro-8-pent-4-enoxyquinoline-5-sulfonamide
SMILESC=CCCCOc1ccc(S(N)(=O)=O)c2ccc(Cl)nc12
InChIInChI=1S/C14H15ClN2O3S/c1-2-3-4-9-20-11-6-7-12(21(16,18)19)10-5-8-13(15)17-14(10)11/h2,5-8H,1,3-4,9H2,(H2,16,18,19)
InChIKeyJXJYBLQYFQSNHD-UHFFFAOYSA-N
MW326.81 g/mol
LogP2.88
Rot. Bonds6

About 2-chloro-8-pent-4-enoxyquinoline-5-sulfonamide

2-chloro-8-pent-4-enoxyquinoline-5-sulfonamide (PubChem CID 83171367) has the molecular formula C14H15ClN2O3S and a molecular weight of 326.81 g/mol. Its IUPAC name is 2-chloro-8-pent-4-enoxyquinoline-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-8-pent-4-enoxyquinoline-5-sulfonamide
PubChem CID83171367
Molecular FormulaC14H15ClN2O3S
Molecular Weight326.81 g/mol
Exact Mass326.05
IUPAC Name2-chloro-8-pent-4-enoxyquinoline-5-sulfonamide
SMILESC=CCCCOc1ccc(S(N)(=O)=O)c2ccc(Cl)nc12
InChIInChI=1S/C14H15ClN2O3S/c1-2-3-4-9-20-11-6-7-12(21(16,18)19)10-5-8-13(15)17-14(10)11/h2,5-8H,1,3-4,9H2,(H2,16,18,19)
InChIKeyJXJYBLQYFQSNHD-UHFFFAOYSA-N
XLogP2.88
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-chloro-8-prop-2-enoxyquinoline-5-sulfonamide
CID 83224888
2-chloro-8-pentoxyquinoline-5-sulfonamide
CID 83171239
2-chloro-8-prop-2-enoxyquinoline-5-sulfonyl chloride
CID 83224316
4-pent-4-enoxynaphthalene-1-sulfonamide
CID 82913570
2-chloro-8-pentan-3-yloxyquinoline-5-sulfonamide
CID 83171653
8-[(E)-but-2-enoxy]-2-chloroquinoline-5-sulfonyl chloride
CID 83224887
2-chloro-8-ethoxy-N-propan-2-ylquinoline-5-sulfonamide
CID 112553282
2-chloro-8-(2-methylidenebutoxy)quinoline-5-sulfonyl chloride
CID 83172298
8-(3-fluoropropoxy)quinoline-5-sulfonamide
CID 81113157
2-pent-4-enoxy-5-sulfamoylbenzoic acid
CID 79114371
3,5-dimethyl-2-pent-4-enoxybenzenesulfonamide
CID 82914810
5-fluoro-2-pent-4-enoxybenzenesulfonyl chloride
CID 82910510

Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-pent-4-enoxyquinoline-5-sulfonamide?
The IUPAC name of 2-chloro-8-pent-4-enoxyquinoline-5-sulfonamide (CID 83171367) is 2-chloro-8-pent-4-enoxyquinoline-5-sulfonamide.
What is the SMILES notation for 2-chloro-8-pent-4-enoxyquinoline-5-sulfonamide?
The canonical SMILES for 2-chloro-8-pent-4-enoxyquinoline-5-sulfonamide is C=CCCCOc1ccc(S(N)(=O)=O)c2ccc(Cl)nc12.
What is the InChIKey of 2-chloro-8-pent-4-enoxyquinoline-5-sulfonamide?
The InChIKey is JXJYBLQYFQSNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3S/c1-2-3-4-9-20-11-6-7-12(21(16,18)19)10-5-8-13(15)17-14(10)11/h2,5-8H,1,3-4,9H2,(H2,16,18,19).
What are the key properties of 2-chloro-8-pent-4-enoxyquinoline-5-sulfonamide?
2-chloro-8-pent-4-enoxyquinoline-5-sulfonamide has a molecular weight of 326.81 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-pent-4-enoxyquinoline-5-sulfonamide is sourced from PubChem (CID 83171367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).