[8-(benzenesulfonamido)quinolin-5-yl] 4-methoxybenzoate

C23H18N2O5S — CID 139204587

IUPAC[8-(benzenesulfonamido)quinolin-5-yl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2ccc(NS(=O)(=O)c3ccccc3)c3ncccc23)cc1
InChIInChI=1S/C23H18N2O5S/c1-29-17-11-9-16(10-12-17)23(26)30-21-14-13-20(22-19(21)8-5-15-24-22)25-31(27,28)18-6-3-2-4-7-18/h2-15,25H,1H3
InChIKeyUFCZVZZYEGTIQR-UHFFFAOYSA-N
MW434.47 g/mol
LogP4.26
Rot. Bonds6

About [8-(benzenesulfonamido)quinolin-5-yl] 4-methoxybenzoate

[8-(benzenesulfonamido)quinolin-5-yl] 4-methoxybenzoate (PubChem CID 139204587) has the molecular formula C23H18N2O5S and a molecular weight of 434.47 g/mol. Its IUPAC name is [8-(benzenesulfonamido)quinolin-5-yl] 4-methoxybenzoate.

Molecular Properties

Compound Name[8-(benzenesulfonamido)quinolin-5-yl] 4-methoxybenzoate
PubChem CID139204587
Molecular FormulaC23H18N2O5S
Molecular Weight434.47 g/mol
Exact Mass434.09
IUPAC Name[8-(benzenesulfonamido)quinolin-5-yl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2ccc(NS(=O)(=O)c3ccccc3)c3ncccc23)cc1
InChIInChI=1S/C23H18N2O5S/c1-29-17-11-9-16(10-12-17)23(26)30-21-14-13-20(22-19(21)8-5-15-24-22)25-31(27,28)18-6-3-2-4-7-18/h2-15,25H,1H3
InChIKeyUFCZVZZYEGTIQR-UHFFFAOYSA-N
XLogP4.26
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [8-(benzenesulfonamido)quinolin-5-yl] 4-methoxybenzoate?
The IUPAC name of [8-(benzenesulfonamido)quinolin-5-yl] 4-methoxybenzoate (CID 139204587) is [8-(benzenesulfonamido)quinolin-5-yl] 4-methoxybenzoate.
What is the SMILES notation for [8-(benzenesulfonamido)quinolin-5-yl] 4-methoxybenzoate?
The canonical SMILES for [8-(benzenesulfonamido)quinolin-5-yl] 4-methoxybenzoate is COc1ccc(C(=O)Oc2ccc(NS(=O)(=O)c3ccccc3)c3ncccc23)cc1.
What is the InChIKey of [8-(benzenesulfonamido)quinolin-5-yl] 4-methoxybenzoate?
The InChIKey is UFCZVZZYEGTIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O5S/c1-29-17-11-9-16(10-12-17)23(26)30-21-14-13-20(22-19(21)8-5-15-24-22)25-31(27,28)18-6-3-2-4-7-18/h2-15,25H,1H3.
What are the key properties of [8-(benzenesulfonamido)quinolin-5-yl] 4-methoxybenzoate?
[8-(benzenesulfonamido)quinolin-5-yl] 4-methoxybenzoate has a molecular weight of 434.47 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(benzenesulfonamido)quinolin-5-yl] 4-methoxybenzoate is sourced from PubChem (CID 139204587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).