4-fluoro-N-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]prop-2-enyl]-N-(4-methylphenyl)benzenesulfonamide

C23H22FN3O3S — CID 142136622

IUPAC4-fluoro-N-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]prop-2-enyl]-N-(4-methylphenyl)benzenesulfonamide
SMILESC=C(CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1)N/N=C/c1ccccc1O
InChIInChI=1S/C23H22FN3O3S/c1-17-7-11-21(12-8-17)27(31(29,30)22-13-9-20(24)10-14-22)16-18(2)26-25-15-19-5-3-4-6-23(19)28/h3-15,26,28H,2,16H2,1H3/b25-15+
InChIKeyFRIKWOXOLDKHEN-MFKUBSTISA-N
MW439.51 g/mol
LogP4.17
Rot. Bonds8

About 4-fluoro-N-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]prop-2-enyl]-N-(4-methylphenyl)benzenesulfonamide

4-fluoro-N-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]prop-2-enyl]-N-(4-methylphenyl)benzenesulfonamide (PubChem CID 142136622) has the molecular formula C23H22FN3O3S and a molecular weight of 439.51 g/mol. Its IUPAC name is 4-fluoro-N-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]prop-2-enyl]-N-(4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]prop-2-enyl]-N-(4-methylphenyl)benzenesulfonamide
PubChem CID142136622
Molecular FormulaC23H22FN3O3S
Molecular Weight439.51 g/mol
Exact Mass439.14
IUPAC Name4-fluoro-N-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]prop-2-enyl]-N-(4-methylphenyl)benzenesulfonamide
SMILESC=C(CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1)N/N=C/c1ccccc1O
InChIInChI=1S/C23H22FN3O3S/c1-17-7-11-21(12-8-17)27(31(29,30)22-13-9-20(24)10-14-22)16-18(2)26-25-15-19-5-3-4-6-23(19)28/h3-15,26,28H,2,16H2,1H3/b25-15+
InChIKeyFRIKWOXOLDKHEN-MFKUBSTISA-N
XLogP4.17
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 54.17
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)-4-methylanilino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135515655
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(4-fluorophenyl)methylideneamino]acetamide
CID 2249406
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide
CID 6042405
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetamide
CID 92644228
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide
CID 92661504
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
CID 92661473
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide
CID 92644226
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide
CID 28588927
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-(4-methylphenyl)acetamide
CID 1361908
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 126190899
N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide
CID 5073136
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 137077902

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]prop-2-enyl]-N-(4-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]prop-2-enyl]-N-(4-methylphenyl)benzenesulfonamide (CID 142136622) is 4-fluoro-N-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]prop-2-enyl]-N-(4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]prop-2-enyl]-N-(4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]prop-2-enyl]-N-(4-methylphenyl)benzenesulfonamide is C=C(CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1)N/N=C/c1ccccc1O.
What is the InChIKey of 4-fluoro-N-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]prop-2-enyl]-N-(4-methylphenyl)benzenesulfonamide?
The InChIKey is FRIKWOXOLDKHEN-MFKUBSTISA-N. The full InChI is InChI=1S/C23H22FN3O3S/c1-17-7-11-21(12-8-17)27(31(29,30)22-13-9-20(24)10-14-22)16-18(2)26-25-15-19-5-3-4-6-23(19)28/h3-15,26,28H,2,16H2,1H3/b25-15+.
What are the key properties of 4-fluoro-N-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]prop-2-enyl]-N-(4-methylphenyl)benzenesulfonamide?
4-fluoro-N-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]prop-2-enyl]-N-(4-methylphenyl)benzenesulfonamide has a molecular weight of 439.51 g/mol, XLogP of 4.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]prop-2-enyl]-N-(4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 142136622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).