N-(2-chlorophenyl)-3-oxo-3-[4-(quinolin-8-ylsulfonylamino)phenyl]propanamide

C24H18ClN3O4S — CID 3864547

IUPACN-(2-chlorophenyl)-3-oxo-3-[4-(quinolin-8-ylsulfonylamino)phenyl]propanamide
SMILESO=C(CC(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)Nc1ccccc1Cl
InChIInChI=1S/C24H18ClN3O4S/c25-19-7-1-2-8-20(19)27-23(30)15-21(29)16-10-12-18(13-11-16)28-33(31,32)22-9-3-5-17-6-4-14-26-24(17)22/h1-14,28H,15H2,(H,27,30)
InChIKeyNCUCBIGVZBBLFE-UHFFFAOYSA-N
MW479.95 g/mol
LogP4.90
Rot. Bonds7

About N-(2-chlorophenyl)-3-oxo-3-[4-(quinolin-8-ylsulfonylamino)phenyl]propanamide

N-(2-chlorophenyl)-3-oxo-3-[4-(quinolin-8-ylsulfonylamino)phenyl]propanamide (PubChem CID 3864547) has the molecular formula C24H18ClN3O4S and a molecular weight of 479.95 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-oxo-3-[4-(quinolin-8-ylsulfonylamino)phenyl]propanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-oxo-3-[4-(quinolin-8-ylsulfonylamino)phenyl]propanamide
PubChem CID3864547
Molecular FormulaC24H18ClN3O4S
Molecular Weight479.95 g/mol
Exact Mass479.07
IUPAC NameN-(2-chlorophenyl)-3-oxo-3-[4-(quinolin-8-ylsulfonylamino)phenyl]propanamide
SMILESO=C(CC(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)Nc1ccccc1Cl
InChIInChI=1S/C24H18ClN3O4S/c25-19-7-1-2-8-20(19)27-23(30)15-21(29)16-10-12-18(13-11-16)28-33(31,32)22-9-3-5-17-6-4-14-26-24(17)22/h1-14,28H,15H2,(H,27,30)
InChIKeyNCUCBIGVZBBLFE-UHFFFAOYSA-N
XLogP4.90
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.95
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide
CID 5045370
N-[4-(quinolin-8-ylsulfonylamino)phenyl]acetamide
CID 2443922
N-(2,6-dichlorophenyl)quinoline-8-sulfonamide
CID 5068800
N-(4-bromophenyl)quinoline-8-sulfonamide
CID 3423367
N-(4-formylphenyl)quinoline-8-sulfonamide
CID 121290762
[4-(quinolin-8-ylsulfonylamino)phenyl] propanoate
CID 59635021
N-methyl-N-[4-(quinolin-8-ylsulfonylamino)phenyl]acetamide
CID 22775261
cyclohexyl 4-(quinolin-8-ylsulfonylamino)benzoate
CID 7573617
2-(diethylamino)ethyl 4-(quinolin-8-ylsulfonylamino)benzoate
CID 22204194
N-[4-(cyanomethyl)phenyl]quinoline-8-sulfonamide
CID 74225429
2-chloro-N-[4-(2-sulfanylacetyl)phenyl]benzenesulfonamide
CID 87732153
(E)-N-hydroxy-3-[4-(quinolin-8-ylsulfonylamino)phenyl]prop-2-enamide
CID 11003161

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-oxo-3-[4-(quinolin-8-ylsulfonylamino)phenyl]propanamide?
The IUPAC name of N-(2-chlorophenyl)-3-oxo-3-[4-(quinolin-8-ylsulfonylamino)phenyl]propanamide (CID 3864547) is N-(2-chlorophenyl)-3-oxo-3-[4-(quinolin-8-ylsulfonylamino)phenyl]propanamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-oxo-3-[4-(quinolin-8-ylsulfonylamino)phenyl]propanamide?
The canonical SMILES for N-(2-chlorophenyl)-3-oxo-3-[4-(quinolin-8-ylsulfonylamino)phenyl]propanamide is O=C(CC(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-3-oxo-3-[4-(quinolin-8-ylsulfonylamino)phenyl]propanamide?
The InChIKey is NCUCBIGVZBBLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O4S/c25-19-7-1-2-8-20(19)27-23(30)15-21(29)16-10-12-18(13-11-16)28-33(31,32)22-9-3-5-17-6-4-14-26-24(17)22/h1-14,28H,15H2,(H,27,30).
What are the key properties of N-(2-chlorophenyl)-3-oxo-3-[4-(quinolin-8-ylsulfonylamino)phenyl]propanamide?
N-(2-chlorophenyl)-3-oxo-3-[4-(quinolin-8-ylsulfonylamino)phenyl]propanamide has a molecular weight of 479.95 g/mol, XLogP of 4.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-oxo-3-[4-(quinolin-8-ylsulfonylamino)phenyl]propanamide is sourced from PubChem (CID 3864547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).