N-[4,4-bis(2-methylphenyl)but-3-enyl]-4-fluorobenzenesulfonamide

C24H24FNO2S — CID 71263439

IUPACN-[4,4-bis(2-methylphenyl)but-3-enyl]-4-fluorobenzenesulfonamide
SMILESCc1ccccc1C(=CCCNS(=O)(=O)c1ccc(F)cc1)c1ccccc1C
InChIInChI=1S/C24H24FNO2S/c1-18-8-3-5-10-22(18)24(23-11-6-4-9-19(23)2)12-7-17-26-29(27,28)21-15-13-20(25)14-16-21/h3-6,8-16,26H,7,17H2,1-2H3
InChIKeyRTYUYPHHRVSYFX-UHFFFAOYSA-N
MW409.53 g/mol
LogP5.24
Rot. Bonds7

About N-[4,4-bis(2-methylphenyl)but-3-enyl]-4-fluorobenzenesulfonamide

N-[4,4-bis(2-methylphenyl)but-3-enyl]-4-fluorobenzenesulfonamide (PubChem CID 71263439) has the molecular formula C24H24FNO2S and a molecular weight of 409.53 g/mol. Its IUPAC name is N-[4,4-bis(2-methylphenyl)but-3-enyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4,4-bis(2-methylphenyl)but-3-enyl]-4-fluorobenzenesulfonamide
PubChem CID71263439
Molecular FormulaC24H24FNO2S
Molecular Weight409.53 g/mol
Exact Mass409.15
IUPAC NameN-[4,4-bis(2-methylphenyl)but-3-enyl]-4-fluorobenzenesulfonamide
SMILESCc1ccccc1C(=CCCNS(=O)(=O)c1ccc(F)cc1)c1ccccc1C
InChIInChI=1S/C24H24FNO2S/c1-18-8-3-5-10-22(18)24(23-11-6-4-9-19(23)2)12-7-17-26-29(27,28)21-15-13-20(25)14-16-21/h3-6,8-16,26H,7,17H2,1-2H3
InChIKeyRTYUYPHHRVSYFX-UHFFFAOYSA-N
XLogP5.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.53
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-[4-[2-(2-methylbenzoyl)hydrazinyl]-4-oxobutyl]benzenesulfonamide
CID 9220784
2-fluoro-N-[3-[(4-fluorophenyl)sulfonylamino]propyl]benzamide
CID 47077414
N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-N-[(2-methylphenyl)methyl]acetamide
CID 113054180
4-fluoro-N-(2-methylsulfinylethyl)benzenesulfonamide
CID 115631989
N-[2-(4-fluorophenyl)sulfonylethyl]benzenesulfonamide
CID 54774356
N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-fluorobenzenesulfonamide
CID 113065161
4-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 62640402
N-[4-(butylsulfamoyl)phenyl]-2-methylbenzamide
CID 4278982
ethyl 3-[(4-fluorophenyl)sulfonylamino]propanoate
CID 3823010
4-fluoro-N-(3-methylsulfonylpropyl)benzenesulfonamide
CID 47298915
2-[(4-fluorophenyl)sulfonylamino]ethylurea
CID 78994332
4-fluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 3765011

Frequently Asked Questions

What is the IUPAC name of N-[4,4-bis(2-methylphenyl)but-3-enyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[4,4-bis(2-methylphenyl)but-3-enyl]-4-fluorobenzenesulfonamide (CID 71263439) is N-[4,4-bis(2-methylphenyl)but-3-enyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[4,4-bis(2-methylphenyl)but-3-enyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[4,4-bis(2-methylphenyl)but-3-enyl]-4-fluorobenzenesulfonamide is Cc1ccccc1C(=CCCNS(=O)(=O)c1ccc(F)cc1)c1ccccc1C.
What is the InChIKey of N-[4,4-bis(2-methylphenyl)but-3-enyl]-4-fluorobenzenesulfonamide?
The InChIKey is RTYUYPHHRVSYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FNO2S/c1-18-8-3-5-10-22(18)24(23-11-6-4-9-19(23)2)12-7-17-26-29(27,28)21-15-13-20(25)14-16-21/h3-6,8-16,26H,7,17H2,1-2H3.
What are the key properties of N-[4,4-bis(2-methylphenyl)but-3-enyl]-4-fluorobenzenesulfonamide?
N-[4,4-bis(2-methylphenyl)but-3-enyl]-4-fluorobenzenesulfonamide has a molecular weight of 409.53 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,4-bis(2-methylphenyl)but-3-enyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 71263439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).