2-[(4-chlorophenyl)sulfonylamino]-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide

C18H15ClN4O4S — CID 4058223

IUPAC2-[(4-chlorophenyl)sulfonylamino]-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide
SMILESO=C(CNS(=O)(=O)c1ccc(Cl)cc1)NN=Cc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C18H15ClN4O4S/c19-14-5-7-15(8-6-14)28(26,27)21-11-17(24)23-20-10-13-9-12-3-1-2-4-16(12)22-18(13)25/h1-10,21H,11H2,(H,22,25)(H,23,24)
InChIKeyWFELRFOKPIZYBY-UHFFFAOYSA-N
MW418.86 g/mol
LogP1.61
Rot. Bonds6

About 2-[(4-chlorophenyl)sulfonylamino]-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide

2-[(4-chlorophenyl)sulfonylamino]-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide (PubChem CID 4058223) has the molecular formula C18H15ClN4O4S and a molecular weight of 418.86 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylamino]-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylamino]-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide
PubChem CID4058223
Molecular FormulaC18H15ClN4O4S
Molecular Weight418.86 g/mol
Exact Mass418.05
IUPAC Name2-[(4-chlorophenyl)sulfonylamino]-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide
SMILESO=C(CNS(=O)(=O)c1ccc(Cl)cc1)NN=Cc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C18H15ClN4O4S/c19-14-5-7-15(8-6-14)28(26,27)21-11-17(24)23-20-10-13-9-12-3-1-2-4-16(12)22-18(13)25/h1-10,21H,11H2,(H,22,25)(H,23,24)
InChIKeyWFELRFOKPIZYBY-UHFFFAOYSA-N
XLogP1.61
TPSA120.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.86
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-methylphenyl)sulfonylamino]-N-[(Z)-(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide
CID 136782146
4-chloro-N-[2-oxo-2-[2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]benzamide
CID 3586346
3-chloro-N-[2-oxo-2-[2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]benzamide
CID 3548423
N-(4-chlorophenyl)-N'-[(2-oxo-1H-quinolin-3-yl)methylideneamino]oxamide
CID 5103569
N-[2-oxo-2-[2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]naphthalene-1-carboxamide
CID 5164609
N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]tetradecanamide
CID 136503680
3-chloro-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
CID 4120444
4-methyl-N-[2-oxo-2-[(2Z)-2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]benzamide
CID 136911857
2-(4-chlorophenoxy)-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]propanamide
CID 135752432
2-[(4-chlorophenyl)methoxy]-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
CID 136503674
2-(3,4-dimethylphenoxy)-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide
CID 932384
(2S)-2-(2,4-dichlorophenoxy)-N-[(Z)-(2-oxo-1H-quinolin-3-yl)methylideneamino]butanamide
CID 136808208

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide (CID 4058223) is 2-[(4-chlorophenyl)sulfonylamino]-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylamino]-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylamino]-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide is O=C(CNS(=O)(=O)c1ccc(Cl)cc1)NN=Cc1cc2ccccc2[nH]c1=O.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylamino]-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide?
The InChIKey is WFELRFOKPIZYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O4S/c19-14-5-7-15(8-6-14)28(26,27)21-11-17(24)23-20-10-13-9-12-3-1-2-4-16(12)22-18(13)25/h1-10,21H,11H2,(H,22,25)(H,23,24).
What are the key properties of 2-[(4-chlorophenyl)sulfonylamino]-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide?
2-[(4-chlorophenyl)sulfonylamino]-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide has a molecular weight of 418.86 g/mol, XLogP of 1.61, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonylamino]-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide is sourced from PubChem (CID 4058223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).