2-(4-fluoro-N-methylsulfonylanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide

C16H16FN3O4S — CID 135422656

IUPAC2-(4-fluoro-N-methylsulfonylanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
SMILESCS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1O)c1ccc(F)cc1
InChIInChI=1S/C16H16FN3O4S/c1-25(23,24)20(14-8-6-13(17)7-9-14)11-16(22)19-18-10-12-4-2-3-5-15(12)21/h2-10,21H,11H2,1H3,(H,19,22)/b18-10+
InChIKeyCKRUIQVRWJWHCE-VCHYOVAHSA-N
MW365.39 g/mol
LogP1.45
Rot. Bonds6

About 2-(4-fluoro-N-methylsulfonylanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide

2-(4-fluoro-N-methylsulfonylanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 135422656) has the molecular formula C16H16FN3O4S and a molecular weight of 365.39 g/mol. Its IUPAC name is 2-(4-fluoro-N-methylsulfonylanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-fluoro-N-methylsulfonylanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
PubChem CID135422656
Molecular FormulaC16H16FN3O4S
Molecular Weight365.39 g/mol
Exact Mass365.08
IUPAC Name2-(4-fluoro-N-methylsulfonylanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
SMILESCS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1O)c1ccc(F)cc1
InChIInChI=1S/C16H16FN3O4S/c1-25(23,24)20(14-8-6-13(17)7-9-14)11-16(22)19-18-10-12-4-2-3-5-15(12)21/h2-10,21H,11H2,1H3,(H,19,22)/b18-10+
InChIKeyCKRUIQVRWJWHCE-VCHYOVAHSA-N
XLogP1.45
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.45
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-(2-(3-Allyl-2-hydroxybenzylidene)hydrazino)-N-(4-methylphenyl)-2-oxoacetamide
CID 135433321
N-[(1E)-2-(2-hydroxyphenyl)-1-azaprop-1-enyl]-2-[(methylsulfonyl)phenylamino]a cetamide
CID 135519931
N''-(2-hydroxybenzylidene)-2-(N-(4-chlorophenyl)phenylsulfonamido)acetohydrazide
CID 135537472
2-[(2E)-2-(2-hydroxybenzylidene)hydrazinyl]-N-(2-methylphenyl)-2-oxoacetamide
CID 135419636
N'-(3-allyl-2-hydroxybenzylidene)-2-(4-toluidino)propanohydrazide
CID 135401434
N'-[(1E)-(3-allyl-2-hydroxyphenyl)methylene]-2-[(3-methylphenyl)amino]propanohydrazide
CID 135439753
N-(2-{2-[1-(2-hydroxyphenyl)ethylidene]hydrazino}-2-oxoethyl)-N-phenylbenzenesulfonamide
CID 135470730
N'-(3-allyl-2-hydroxybenzylidene)-2-anilinoacetohydrazide
CID 135490294
N-({N'-[(E)-(2-Hydroxyphenyl)methylidene]hydrazinecarbonyl}methyl)-N-(4-methylphenyl)benzenesulfonamide
CID 135515655
N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide
CID 135520042
N'-[(1E)-(2-hydroxyphenyl)methylidene]-2-(1,2,3,4-tetrahydroquinolin-1-yl)acetohydrazide
CID 135521563
N''-(1-(2-hydroxyphenyl)ethylidene)-2-(N-phenylphenylsulfonamido)acetohydrazide
CID 135613341

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-N-methylsulfonylanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-fluoro-N-methylsulfonylanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide (CID 135422656) is 2-(4-fluoro-N-methylsulfonylanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-fluoro-N-methylsulfonylanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-fluoro-N-methylsulfonylanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide is CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1O)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluoro-N-methylsulfonylanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is CKRUIQVRWJWHCE-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H16FN3O4S/c1-25(23,24)20(14-8-6-13(17)7-9-14)11-16(22)19-18-10-12-4-2-3-5-15(12)21/h2-10,21H,11H2,1H3,(H,19,22)/b18-10+.
What are the key properties of 2-(4-fluoro-N-methylsulfonylanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
2-(4-fluoro-N-methylsulfonylanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 365.39 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-N-methylsulfonylanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135422656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).