N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanesulfonamide

C21H20FNO3S — CID 35388728

IUPACN-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCc1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C21H20FNO3S/c22-20-8-4-7-19(13-20)15-26-21-11-9-17(10-12-21)14-23-27(24,25)16-18-5-2-1-3-6-18/h1-13,23H,14-16H2
InChIKeyFGMUGESTGKKGAP-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.02
Rot. Bonds8

About N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanesulfonamide

N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanesulfonamide (PubChem CID 35388728) has the molecular formula C21H20FNO3S and a molecular weight of 385.46 g/mol. Its IUPAC name is N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanesulfonamide
PubChem CID35388728
Molecular FormulaC21H20FNO3S
Molecular Weight385.46 g/mol
Exact Mass385.11
IUPAC NameN-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCc1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C21H20FNO3S/c22-20-8-4-7-19(13-20)15-26-21-11-9-17(10-12-21)14-23-27(24,25)16-18-5-2-1-3-6-18/h1-13,23H,14-16H2
InChIKeyFGMUGESTGKKGAP-UHFFFAOYSA-N
XLogP4.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,2-dimethylpropanamide
CID 37469359
1-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide
CID 84593439
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126116240
1-(chloromethyl)-4-[(3-fluorophenyl)methoxy]benzene
CID 29038126
[4-[(3-fluorophenyl)methoxy]phenyl]methanol
CID 887902
(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide;methanesulfonic acid
CID 3038502
3-[4-[(3-fluorophenyl)methoxy]phenyl]propanoic acid
CID 11300296
1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 11393202
1-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]methanesulfonamide
CID 51339544
2-acetamido-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]acetamide
CID 46222705
1-phenyl-N-[(3,4,5-trifluorophenyl)methyl]methanesulfonamide
CID 3761631
(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-N-methylpropanamide
CID 10193260

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanesulfonamide (CID 35388728) is N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)NCc1ccc(OCc2cccc(F)c2)cc1.
What is the InChIKey of N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanesulfonamide?
The InChIKey is FGMUGESTGKKGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO3S/c22-20-8-4-7-19(13-20)15-26-21-11-9-17(10-12-21)14-23-27(24,25)16-18-5-2-1-3-6-18/h1-13,23H,14-16H2.
What are the key properties of N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanesulfonamide?
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanesulfonamide has a molecular weight of 385.46 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 35388728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).