N-[3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(4-fluorophenyl)methanesulfonamide

C23H21FN2O4S — CID 3157264

IUPACN-[3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(4-fluorophenyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(O)CON=C1c2ccccc2-c2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C23H21FN2O4S/c1-31(28,29)26(17-12-10-16(24)11-13-17)14-18(27)15-30-25-23-21-8-4-2-6-19(21)20-7-3-5-9-22(20)23/h2-13,18,27H,14-15H2,1H3
InChIKeyPMCVOFDJVDGBNH-UHFFFAOYSA-N
MW440.50 g/mol
LogP3.40
Rot. Bonds7

About N-[3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(4-fluorophenyl)methanesulfonamide

N-[3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(4-fluorophenyl)methanesulfonamide (PubChem CID 3157264) has the molecular formula C23H21FN2O4S and a molecular weight of 440.50 g/mol. Its IUPAC name is N-[3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(4-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(4-fluorophenyl)methanesulfonamide
PubChem CID3157264
Molecular FormulaC23H21FN2O4S
Molecular Weight440.50 g/mol
Exact Mass440.12
IUPAC NameN-[3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(4-fluorophenyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(O)CON=C1c2ccccc2-c2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C23H21FN2O4S/c1-31(28,29)26(17-12-10-16(24)11-13-17)14-18(27)15-30-25-23-21-8-4-2-6-19(21)20-7-3-5-9-22(20)23/h2-13,18,27H,14-15H2,1H3
InChIKeyPMCVOFDJVDGBNH-UHFFFAOYSA-N
XLogP3.40
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.40
H-Bond Donors ≤ 51
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

N-[3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-4-fluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 16801002
N-(4-bromophenyl)-N-[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-4-methylbenzenesulfonamide
CID 94850901
N-(4-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]methanesulfonamide
CID 71945504
4-bromo-N-[3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-methylbenzenesulfonamide
CID 12005976
4-chloro-N-ethyl-N-[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]benzenesulfonamide
CID 2133944
N-(4-fluorophenyl)-N-[2-hydroxy-3-(4-methylphenoxy)propyl]-4-methylbenzenesulfonamide
CID 71945528
N-[2-hydroxy-3-(4-methyl-N-methylsulfonylanilino)propyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 16801172
N-[3-(4-bromo-N-methylsulfonylanilino)-2-hydroxypropyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 45127373
N-(4-aminophenyl)-N-(3-carbazol-9-yl-2-hydroxypropyl)methanesulfonamide
CID 123344434
N-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-N-(2,4,6-trimethylphenyl)methanesulfonamide
CID 27371013
(2R)-1-(fluoren-9-ylideneamino)oxy-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 28868788
2-(4-fluoro-N-methylsulfonylanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 43895851

Frequently Asked Questions

What is the IUPAC name of N-[3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(4-fluorophenyl)methanesulfonamide?
The IUPAC name of N-[3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(4-fluorophenyl)methanesulfonamide (CID 3157264) is N-[3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(4-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(4-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-[3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(4-fluorophenyl)methanesulfonamide is CS(=O)(=O)N(CC(O)CON=C1c2ccccc2-c2ccccc21)c1ccc(F)cc1.
What is the InChIKey of N-[3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(4-fluorophenyl)methanesulfonamide?
The InChIKey is PMCVOFDJVDGBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O4S/c1-31(28,29)26(17-12-10-16(24)11-13-17)14-18(27)15-30-25-23-21-8-4-2-6-19(21)20-7-3-5-9-22(20)23/h2-13,18,27H,14-15H2,1H3.
What are the key properties of N-[3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(4-fluorophenyl)methanesulfonamide?
N-[3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(4-fluorophenyl)methanesulfonamide has a molecular weight of 440.50 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(4-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 3157264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).