2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide

C22H20FN3O4S — CID 135997490

IUPAC2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
SMILESCc1ccc(N(CC(=O)N/N=C/c2ccccc2O)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H20FN3O4S/c1-16-6-10-19(11-7-16)26(31(29,30)20-12-8-18(23)9-13-20)15-22(28)25-24-14-17-4-2-3-5-21(17)27/h2-14,27H,15H2,1H3,(H,25,28)/b24-14+
InChIKeyMAMQBNFAJNHPNW-ZVHZXABRSA-N
MW441.48 g/mol
LogP3.19
Rot. Bonds7

About 2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide

2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 135997490) has the molecular formula C22H20FN3O4S and a molecular weight of 441.48 g/mol. Its IUPAC name is 2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
PubChem CID135997490
Molecular FormulaC22H20FN3O4S
Molecular Weight441.48 g/mol
Exact Mass441.12
IUPAC Name2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
SMILESCc1ccc(N(CC(=O)N/N=C/c2ccccc2O)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H20FN3O4S/c1-16-6-10-19(11-7-16)26(31(29,30)20-12-8-18(23)9-13-20)15-22(28)25-24-14-17-4-2-3-5-21(17)27/h2-14,27H,15H2,1H3,(H,25,28)/b24-14+
InChIKeyMAMQBNFAJNHPNW-ZVHZXABRSA-N
XLogP3.19
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 53.19
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

N-[(1E)-2-(2-hydroxyphenyl)-1-azaprop-1-enyl]-2-[(methylsulfonyl)phenylamino]a cetamide
CID 135519931
4-ethoxy-N-{2-[2-(2-hydroxybenzylidene)hydrazino]-2-oxoethyl}-N-(4-methylphenyl)benzenesulfonamide
CID 135475964
N''-(2-hydroxybenzylidene)-2-(N-(4-chlorophenyl)phenylsulfonamido)acetohydrazide
CID 135537472
N-(2-{2-[1-(2-hydroxyphenyl)ethylidene]hydrazino}-2-oxoethyl)-N-phenylbenzenesulfonamide
CID 135470730
N-({N'-[(E)-(2-Hydroxyphenyl)methylidene]hydrazinecarbonyl}methyl)-N-(4-methylphenyl)benzenesulfonamide
CID 135515655
N''-(1-(2-hydroxyphenyl)ethylidene)-2-(N-phenylphenylsulfonamido)acetohydrazide
CID 135613341
N-(2-{(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl}-2-oxoethyl)-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide (non-preferred name)
CID 135614387
2-(N-(3-chlorophenyl)phenylsulfonamido)-N''-(1-(2-hydroxyphenyl)ethylidene)acetohydrazide
CID 135644174
2-(2-(2-Hydroxybenzylidene)hydrazino)-N-(4-methylphenyl)-2-oxoacetamide
CID 135459122
(E)-N-(4-(N-(2-(2-(3-hydroxybenzylidene)hydrazinyl)-2-oxoethyl)-N-methylsulfamoyl)phenyl)acetamide
CID 6882696
N-({N'-[(E)-(2-Fluorophenyl)methylidene]hydrazinecarbonyl}methyl)-N-(4-methoxyphenyl)benzenesulfonamide
CID 6896030
N-({N'-[(E)-(4-Fluorophenyl)methylidene]hydrazinecarbonyl}methyl)-N-(4-methoxyphenyl)benzenesulfonamide
CID 6896252

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide (CID 135997490) is 2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide is Cc1ccc(N(CC(=O)N/N=C/c2ccccc2O)S(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is MAMQBNFAJNHPNW-ZVHZXABRSA-N. The full InChI is InChI=1S/C22H20FN3O4S/c1-16-6-10-19(11-7-16)26(31(29,30)20-12-8-18(23)9-13-20)15-22(28)25-24-14-17-4-2-3-5-21(17)27/h2-14,27H,15H2,1H3,(H,25,28)/b24-14+.
What are the key properties of 2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 441.48 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135997490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).