2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide

C23H22FN3O4S — CID 3943441

IUPAC2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide
SMILESCC(=NNC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1)c1ccccc1O
InChIInChI=1S/C23H22FN3O4S/c1-16-11-13-18(14-12-16)32(30,31)27(21-9-5-4-8-20(21)24)15-23(29)26-25-17(2)19-7-3-6-10-22(19)28/h3-14,28H,15H2,1-2H3,(H,26,29)
InChIKeyJGGQTYPYBRGRFY-UHFFFAOYSA-N
MW455.51 g/mol
LogP3.58
Rot. Bonds7

About 2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide

2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide (PubChem CID 3943441) has the molecular formula C23H22FN3O4S and a molecular weight of 455.51 g/mol. Its IUPAC name is 2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide
PubChem CID3943441
Molecular FormulaC23H22FN3O4S
Molecular Weight455.51 g/mol
Exact Mass455.13
IUPAC Name2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide
SMILESCC(=NNC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1)c1ccccc1O
InChIInChI=1S/C23H22FN3O4S/c1-16-11-13-18(14-12-16)32(30,31)27(21-9-5-4-8-20(21)24)15-23(29)26-25-17(2)19-7-3-6-10-22(19)28/h3-14,28H,15H2,1-2H3,(H,26,29)
InChIKeyJGGQTYPYBRGRFY-UHFFFAOYSA-N
XLogP3.58
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 5015345
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 137044533
2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 137107847
N-(2-fluorophenyl)-N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzenesulfonamide
CID 50890158
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 3879927
2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 43902503
2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N,N-dimethylacetamide
CID 51345438
2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-(4-methoxyphenyl)methylideneamino]acetamide
CID 92686425
2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 30307001
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126033241
N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 3400381
2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 30215942

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide (CID 3943441) is 2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide is CC(=NNC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1)c1ccccc1O.
What is the InChIKey of 2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide?
The InChIKey is JGGQTYPYBRGRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O4S/c1-16-11-13-18(14-12-16)32(30,31)27(21-9-5-4-8-20(21)24)15-23(29)26-25-17(2)19-7-3-6-10-22(19)28/h3-14,28H,15H2,1-2H3,(H,26,29).
What are the key properties of 2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide?
2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide has a molecular weight of 455.51 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 3943441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).