N-[2-[1-(4-fluorophenyl)ethenyl]phenyl]-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide

C25H24FNO2S — CID 166064521

IUPACN-[2-[1-(4-fluorophenyl)ethenyl]phenyl]-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
SMILESC=C(C)CN(c1ccccc1C(=C)c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C25H24FNO2S/c1-18(2)17-27(30(28,29)23-15-9-19(3)10-16-23)25-8-6-5-7-24(25)20(4)21-11-13-22(26)14-12-21/h5-16H,1,4,17H2,2-3H3
InChIKeyXQKJBOYILVIDPJ-UHFFFAOYSA-N
MW421.54 g/mol
LogP5.97
Rot. Bonds7

About N-[2-[1-(4-fluorophenyl)ethenyl]phenyl]-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide

N-[2-[1-(4-fluorophenyl)ethenyl]phenyl]-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide (PubChem CID 166064521) has the molecular formula C25H24FNO2S and a molecular weight of 421.54 g/mol. Its IUPAC name is N-[2-[1-(4-fluorophenyl)ethenyl]phenyl]-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[1-(4-fluorophenyl)ethenyl]phenyl]-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
PubChem CID166064521
Molecular FormulaC25H24FNO2S
Molecular Weight421.54 g/mol
Exact Mass421.15
IUPAC NameN-[2-[1-(4-fluorophenyl)ethenyl]phenyl]-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
SMILESC=C(C)CN(c1ccccc1C(=C)c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C25H24FNO2S/c1-18(2)17-27(30(28,29)23-15-9-19(3)10-16-23)25-8-6-5-7-24(25)20(4)21-11-13-22(26)14-12-21/h5-16H,1,4,17H2,2-3H3
InChIKeyXQKJBOYILVIDPJ-UHFFFAOYSA-N
XLogP5.97
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[4-chloro-2-(1-phenylethenyl)phenyl]-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 166064515
2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 30307001
N-[2-[1-(4-chlorophenyl)ethenyl]phenyl]-N-(4-methylphenyl)sulfonylprop-2-enamide
CID 171482518
N-[(4-fluorophenyl)methyl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30305775
N-(4-iodophenyl)-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 100935731
2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N,N-dimethylacetamide
CID 51345438
N-(2-fluorophenyl)-N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzenesulfonamide
CID 50890158
2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 3943441
N-benzyl-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 35766204
N,N-diethyl-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 2274312
2-(N-(4-fluorophenyl)sulfonyl-2,5-dimethylanilino)acetamide
CID 50891717
2-(N-(4-fluorophenyl)sulfonyl-2,5-dimethylanilino)acetyl chloride
CID 50891718

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-fluorophenyl)ethenyl]phenyl]-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
The IUPAC name of N-[2-[1-(4-fluorophenyl)ethenyl]phenyl]-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide (CID 166064521) is N-[2-[1-(4-fluorophenyl)ethenyl]phenyl]-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide.
What is the SMILES notation for N-[2-[1-(4-fluorophenyl)ethenyl]phenyl]-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
The canonical SMILES for N-[2-[1-(4-fluorophenyl)ethenyl]phenyl]-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide is C=C(C)CN(c1ccccc1C(=C)c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[2-[1-(4-fluorophenyl)ethenyl]phenyl]-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
The InChIKey is XQKJBOYILVIDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FNO2S/c1-18(2)17-27(30(28,29)23-15-9-19(3)10-16-23)25-8-6-5-7-24(25)20(4)21-11-13-22(26)14-12-21/h5-16H,1,4,17H2,2-3H3.
What are the key properties of N-[2-[1-(4-fluorophenyl)ethenyl]phenyl]-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
N-[2-[1-(4-fluorophenyl)ethenyl]phenyl]-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide has a molecular weight of 421.54 g/mol, XLogP of 5.97, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-fluorophenyl)ethenyl]phenyl]-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide is sourced from PubChem (CID 166064521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).