N-benzyl-N-[[4-(diethylamino)phenyl]methyl]-4-fluorobenzenesulfonamide

C24H27FN2O2S — CID 71623344

IUPACN-benzyl-N-[[4-(diethylamino)phenyl]methyl]-4-fluorobenzenesulfonamide
SMILESCCN(CC)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H27FN2O2S/c1-3-26(4-2)23-14-10-21(11-15-23)19-27(18-20-8-6-5-7-9-20)30(28,29)24-16-12-22(25)13-17-24/h5-17H,3-4,18-19H2,1-2H3
InChIKeyAMOGWGAQMCOLMW-UHFFFAOYSA-N
MW426.56 g/mol
LogP5.06
Rot. Bonds9

About N-benzyl-N-[[4-(diethylamino)phenyl]methyl]-4-fluorobenzenesulfonamide

N-benzyl-N-[[4-(diethylamino)phenyl]methyl]-4-fluorobenzenesulfonamide (PubChem CID 71623344) has the molecular formula C24H27FN2O2S and a molecular weight of 426.56 g/mol. Its IUPAC name is N-benzyl-N-[[4-(diethylamino)phenyl]methyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-[[4-(diethylamino)phenyl]methyl]-4-fluorobenzenesulfonamide
PubChem CID71623344
Molecular FormulaC24H27FN2O2S
Molecular Weight426.56 g/mol
Exact Mass426.18
IUPAC NameN-benzyl-N-[[4-(diethylamino)phenyl]methyl]-4-fluorobenzenesulfonamide
SMILESCCN(CC)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H27FN2O2S/c1-3-26(4-2)23-14-10-21(11-15-23)19-27(18-20-8-6-5-7-9-20)30(28,29)24-16-12-22(25)13-17-24/h5-17H,3-4,18-19H2,1-2H3
InChIKeyAMOGWGAQMCOLMW-UHFFFAOYSA-N
XLogP5.06
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[[4-(diethylamino)phenyl]methyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-benzyl-N-[[4-(diethylamino)phenyl]methyl]-4-fluorobenzenesulfonamide (CID 71623344) is N-benzyl-N-[[4-(diethylamino)phenyl]methyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-benzyl-N-[[4-(diethylamino)phenyl]methyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-benzyl-N-[[4-(diethylamino)phenyl]methyl]-4-fluorobenzenesulfonamide is CCN(CC)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-benzyl-N-[[4-(diethylamino)phenyl]methyl]-4-fluorobenzenesulfonamide?
The InChIKey is AMOGWGAQMCOLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O2S/c1-3-26(4-2)23-14-10-21(11-15-23)19-27(18-20-8-6-5-7-9-20)30(28,29)24-16-12-22(25)13-17-24/h5-17H,3-4,18-19H2,1-2H3.
What are the key properties of N-benzyl-N-[[4-(diethylamino)phenyl]methyl]-4-fluorobenzenesulfonamide?
N-benzyl-N-[[4-(diethylamino)phenyl]methyl]-4-fluorobenzenesulfonamide has a molecular weight of 426.56 g/mol, XLogP of 5.06, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[[4-(diethylamino)phenyl]methyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 71623344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).