N,N-dibenzyl-4-fluorobenzenesulfonamide

C20H18FNO2S — CID 561896

IUPACN,N-dibenzyl-4-fluorobenzenesulfonamide
SMILESO=S(=O)(c1ccc(F)cc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H18FNO2S/c21-19-11-13-20(14-12-19)25(23,24)22(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-14H,15-16H2
InChIKeyDEAFNHWONKHUNF-UHFFFAOYSA-N
MW355.43 g/mol
LogP4.22
Rot. Bonds6

About N,N-dibenzyl-4-fluorobenzenesulfonamide

N,N-dibenzyl-4-fluorobenzenesulfonamide (PubChem CID 561896) has the molecular formula C20H18FNO2S and a molecular weight of 355.43 g/mol. Its IUPAC name is N,N-dibenzyl-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN,N-dibenzyl-4-fluorobenzenesulfonamide
PubChem CID561896
Molecular FormulaC20H18FNO2S
Molecular Weight355.43 g/mol
Exact Mass355.10
IUPAC NameN,N-dibenzyl-4-fluorobenzenesulfonamide
SMILESO=S(=O)(c1ccc(F)cc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H18FNO2S/c21-19-11-13-20(14-12-19)25(23,24)22(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-14H,15-16H2
InChIKeyDEAFNHWONKHUNF-UHFFFAOYSA-N
XLogP4.22
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclotriazadisulfonamide
CID 466371
N-benzyl-N-ethyl-4-fluorobenzenesulfonamide
CID 668993
1-(Benzenesulfonyl)-4-benzylpiperazine
CID 711024
2-Phenyl-1-phenylsulfonylaziridine
CID 576325
2-[(4-Fluorophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline
CID 753515
2-(4-Fluorophenyl)-1-tosylpyrrolidine
CID 17950211
N-Benzyl-N-isopropyl-4-methyl-benzenesulfonamide
CID 668963
2-[(2-Fluorophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline
CID 863777
N,N-diethyl-N'-[(4-fluorophenyl)sulfonyl]benzenecarboximidamide
CID 5843125
1-(3-Fluorobenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine
CID 764400
[2-(3-Fluorophenyl)-4-(4-phenylpiperidyl)butyl]methyl(phenylsulfonyl)amine
CID 479858
N-benzyl-N-(2-cyanoethyl)-4-fluorobenzenesulfonamide
CID 2813021

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-4-fluorobenzenesulfonamide?
The IUPAC name of N,N-dibenzyl-4-fluorobenzenesulfonamide (CID 561896) is N,N-dibenzyl-4-fluorobenzenesulfonamide.
What is the SMILES notation for N,N-dibenzyl-4-fluorobenzenesulfonamide?
The canonical SMILES for N,N-dibenzyl-4-fluorobenzenesulfonamide is O=S(=O)(c1ccc(F)cc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-4-fluorobenzenesulfonamide?
The InChIKey is DEAFNHWONKHUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO2S/c21-19-11-13-20(14-12-19)25(23,24)22(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-14H,15-16H2.
What are the key properties of N,N-dibenzyl-4-fluorobenzenesulfonamide?
N,N-dibenzyl-4-fluorobenzenesulfonamide has a molecular weight of 355.43 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-4-fluorobenzenesulfonamide is sourced from PubChem (CID 561896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).