2-chloro-8-prop-2-enoxyquinoline-5-sulfonamide

C12H11ClN2O3S — CID 83224888

IUPAC2-chloro-8-prop-2-enoxyquinoline-5-sulfonamide
SMILESC=CCOc1ccc(S(N)(=O)=O)c2ccc(Cl)nc12
InChIInChI=1S/C12H11ClN2O3S/c1-2-7-18-9-4-5-10(19(14,16)17)8-3-6-11(13)15-12(8)9/h2-6H,1,7H2,(H2,14,16,17)
InChIKeyYOCPVKKQGNCKIM-UHFFFAOYSA-N
MW298.75 g/mol
LogP2.10
Rot. Bonds4

About 2-chloro-8-prop-2-enoxyquinoline-5-sulfonamide

2-chloro-8-prop-2-enoxyquinoline-5-sulfonamide (PubChem CID 83224888) has the molecular formula C12H11ClN2O3S and a molecular weight of 298.75 g/mol. Its IUPAC name is 2-chloro-8-prop-2-enoxyquinoline-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-8-prop-2-enoxyquinoline-5-sulfonamide
PubChem CID83224888
Molecular FormulaC12H11ClN2O3S
Molecular Weight298.75 g/mol
Exact Mass298.02
IUPAC Name2-chloro-8-prop-2-enoxyquinoline-5-sulfonamide
SMILESC=CCOc1ccc(S(N)(=O)=O)c2ccc(Cl)nc12
InChIInChI=1S/C12H11ClN2O3S/c1-2-7-18-9-4-5-10(19(14,16)17)8-3-6-11(13)15-12(8)9/h2-6H,1,7H2,(H2,14,16,17)
InChIKeyYOCPVKKQGNCKIM-UHFFFAOYSA-N
XLogP2.10
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.75
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-prop-2-enoxyquinoline-5-sulfonamide?
The IUPAC name of 2-chloro-8-prop-2-enoxyquinoline-5-sulfonamide (CID 83224888) is 2-chloro-8-prop-2-enoxyquinoline-5-sulfonamide.
What is the SMILES notation for 2-chloro-8-prop-2-enoxyquinoline-5-sulfonamide?
The canonical SMILES for 2-chloro-8-prop-2-enoxyquinoline-5-sulfonamide is C=CCOc1ccc(S(N)(=O)=O)c2ccc(Cl)nc12.
What is the InChIKey of 2-chloro-8-prop-2-enoxyquinoline-5-sulfonamide?
The InChIKey is YOCPVKKQGNCKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3S/c1-2-7-18-9-4-5-10(19(14,16)17)8-3-6-11(13)15-12(8)9/h2-6H,1,7H2,(H2,14,16,17).
What are the key properties of 2-chloro-8-prop-2-enoxyquinoline-5-sulfonamide?
2-chloro-8-prop-2-enoxyquinoline-5-sulfonamide has a molecular weight of 298.75 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-prop-2-enoxyquinoline-5-sulfonamide is sourced from PubChem (CID 83224888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).