N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-methylsulfonylaniline

C21H20FNO3S — CID 133477267

IUPACN-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-methylsulfonylaniline
SMILESCS(=O)(=O)c1ccc(NCc2ccc(OCc3ccccc3F)cc2)cc1
InChIInChI=1S/C21H20FNO3S/c1-27(24,25)20-12-8-18(9-13-20)23-14-16-6-10-19(11-7-16)26-15-17-4-2-3-5-21(17)22/h2-13,23H,14-15H2,1H3
InChIKeyPWLIEHQZMHVCLT-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.42
Rot. Bonds7

About N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-methylsulfonylaniline

N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-methylsulfonylaniline (PubChem CID 133477267) has the molecular formula C21H20FNO3S and a molecular weight of 385.46 g/mol. Its IUPAC name is N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-methylsulfonylaniline.

Molecular Properties

Compound NameN-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-methylsulfonylaniline
PubChem CID133477267
Molecular FormulaC21H20FNO3S
Molecular Weight385.46 g/mol
Exact Mass385.11
IUPAC NameN-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-methylsulfonylaniline
SMILESCS(=O)(=O)c1ccc(NCc2ccc(OCc3ccccc3F)cc2)cc1
InChIInChI=1S/C21H20FNO3S/c1-27(24,25)20-12-8-18(9-13-20)23-14-16-6-10-19(11-7-16)26-15-17-4-2-3-5-21(17)22/h2-13,23H,14-15H2,1H3
InChIKeyPWLIEHQZMHVCLT-UHFFFAOYSA-N
XLogP4.42
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline
CID 126127256
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126121743
bis((2S)-2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]propanamide);methanesulfonic acid;hydrate
CID 54596588
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline
CID 126121051
2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-N-methylpropanamide
CID 10064347
2-[(4-methylsulfonylphenoxy)methyl]aniline
CID 43806870
4-chloro-2-fluoro-1-[(4-methylsulfonylphenoxy)methyl]benzene
CID 154798923
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline
CID 126121696
2-fluoro-4-[(4-methylsulfonylanilino)methyl]phenol
CID 107685275
4-bromo-2-fluoro-1-[(4-methylsulfonylphenoxy)methyl]benzene
CID 47111059
N-[[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline;hydrochloride
CID 163326279
6-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]pyridazine-3-carboxamide
CID 133477298

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-methylsulfonylaniline?
The IUPAC name of N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-methylsulfonylaniline (CID 133477267) is N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-methylsulfonylaniline.
What is the SMILES notation for N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-methylsulfonylaniline?
The canonical SMILES for N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-methylsulfonylaniline is CS(=O)(=O)c1ccc(NCc2ccc(OCc3ccccc3F)cc2)cc1.
What is the InChIKey of N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-methylsulfonylaniline?
The InChIKey is PWLIEHQZMHVCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO3S/c1-27(24,25)20-12-8-18(9-13-20)23-14-16-6-10-19(11-7-16)26-15-17-4-2-3-5-21(17)22/h2-13,23H,14-15H2,1H3.
What are the key properties of N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-methylsulfonylaniline?
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-methylsulfonylaniline has a molecular weight of 385.46 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-methylsulfonylaniline is sourced from PubChem (CID 133477267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).