[4-(quinolin-8-ylsulfonylamino)phenyl] propanoate

C18H16N2O4S — CID 59635021

IUPAC[4-(quinolin-8-ylsulfonylamino)phenyl] propanoate
SMILESCCC(=O)Oc1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C18H16N2O4S/c1-2-17(21)24-15-10-8-14(9-11-15)20-25(22,23)16-7-3-5-13-6-4-12-19-18(13)16/h3-12,20H,2H2,1H3
InChIKeyLJSKCDWAFQZLMH-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.35
Rot. Bonds5

About [4-(quinolin-8-ylsulfonylamino)phenyl] propanoate

[4-(quinolin-8-ylsulfonylamino)phenyl] propanoate (PubChem CID 59635021) has the molecular formula C18H16N2O4S and a molecular weight of 356.40 g/mol. Its IUPAC name is [4-(quinolin-8-ylsulfonylamino)phenyl] propanoate.

Molecular Properties

Compound Name[4-(quinolin-8-ylsulfonylamino)phenyl] propanoate
PubChem CID59635021
Molecular FormulaC18H16N2O4S
Molecular Weight356.40 g/mol
Exact Mass356.08
IUPAC Name[4-(quinolin-8-ylsulfonylamino)phenyl] propanoate
SMILESCCC(=O)Oc1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C18H16N2O4S/c1-2-17(21)24-15-10-8-14(9-11-15)20-25(22,23)16-7-3-5-13-6-4-12-19-18(13)16/h3-12,20H,2H2,1H3
InChIKeyLJSKCDWAFQZLMH-UHFFFAOYSA-N
XLogP3.35
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(quinolin-8-ylsulfonylamino)phenyl]acetamide
CID 2443922
N-[4-(trifluoromethoxy)phenyl]quinoline-8-sulfonamide
CID 4259954
N-(4-bromophenyl)quinoline-8-sulfonamide
CID 3423367
N-methyl-N-[4-(quinolin-8-ylsulfonylamino)phenyl]acetamide
CID 22775261
2-(diethylamino)ethyl 4-(quinolin-8-ylsulfonylamino)benzoate
CID 22204194
N-[4-[(R)-methylsulfinyl]phenyl]quinoline-8-sulfonamide
CID 95781119
N-(4-formylphenyl)quinoline-8-sulfonamide
CID 121290762
N-[4-(cyanomethyl)phenyl]quinoline-8-sulfonamide
CID 74225429
(E)-N-hydroxy-3-[4-(quinolin-8-ylsulfonylamino)phenyl]prop-2-enamide
CID 11003161
2-methoxy-4-(quinolin-8-ylsulfonylamino)benzoic acid
CID 118468092
N-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]quinoline-8-sulfonamide
CID 93125988
N-(2-hydroxyphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide
CID 5045370

Frequently Asked Questions

What is the IUPAC name of [4-(quinolin-8-ylsulfonylamino)phenyl] propanoate?
The IUPAC name of [4-(quinolin-8-ylsulfonylamino)phenyl] propanoate (CID 59635021) is [4-(quinolin-8-ylsulfonylamino)phenyl] propanoate.
What is the SMILES notation for [4-(quinolin-8-ylsulfonylamino)phenyl] propanoate?
The canonical SMILES for [4-(quinolin-8-ylsulfonylamino)phenyl] propanoate is CCC(=O)Oc1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.
What is the InChIKey of [4-(quinolin-8-ylsulfonylamino)phenyl] propanoate?
The InChIKey is LJSKCDWAFQZLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4S/c1-2-17(21)24-15-10-8-14(9-11-15)20-25(22,23)16-7-3-5-13-6-4-12-19-18(13)16/h3-12,20H,2H2,1H3.
What are the key properties of [4-(quinolin-8-ylsulfonylamino)phenyl] propanoate?
[4-(quinolin-8-ylsulfonylamino)phenyl] propanoate has a molecular weight of 356.40 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(quinolin-8-ylsulfonylamino)phenyl] propanoate is sourced from PubChem (CID 59635021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).