[2-fluoro-5-[(4-fluorophenyl)sulfonylmethyl]phenyl]methanamine

C14H13F2NO2S — CID 107881466

IUPAC[2-fluoro-5-[(4-fluorophenyl)sulfonylmethyl]phenyl]methanamine
SMILESNCc1cc(CS(=O)(=O)c2ccc(F)cc2)ccc1F
InChIInChI=1S/C14H13F2NO2S/c15-12-2-4-13(5-3-12)20(18,19)9-10-1-6-14(16)11(7-10)8-17/h1-7H,8-9,17H2
InChIKeyZURMKZXVJOEXRJ-UHFFFAOYSA-N
MW297.33 g/mol
LogP2.40
Rot. Bonds4

About [2-fluoro-5-[(4-fluorophenyl)sulfonylmethyl]phenyl]methanamine

[2-fluoro-5-[(4-fluorophenyl)sulfonylmethyl]phenyl]methanamine (PubChem CID 107881466) has the molecular formula C14H13F2NO2S and a molecular weight of 297.33 g/mol. Its IUPAC name is [2-fluoro-5-[(4-fluorophenyl)sulfonylmethyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-5-[(4-fluorophenyl)sulfonylmethyl]phenyl]methanamine
PubChem CID107881466
Molecular FormulaC14H13F2NO2S
Molecular Weight297.33 g/mol
Exact Mass297.06
IUPAC Name[2-fluoro-5-[(4-fluorophenyl)sulfonylmethyl]phenyl]methanamine
SMILESNCc1cc(CS(=O)(=O)c2ccc(F)cc2)ccc1F
InChIInChI=1S/C14H13F2NO2S/c15-12-2-4-13(5-3-12)20(18,19)9-10-1-6-14(16)11(7-10)8-17/h1-7H,8-9,17H2
InChIKeyZURMKZXVJOEXRJ-UHFFFAOYSA-N
XLogP2.40
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(4-chlorophenyl)sulfonylmethyl]-4-fluorophenyl]methanamine
CID 64763606
[2-[(4-chlorophenyl)sulfonylmethyl]-5-fluorophenyl]methanamine
CID 64697361
2-chloro-5-[(4-fluorophenyl)sulfonylmethyl]aniline
CID 43444225
[3-(aminomethyl)-4-fluorophenyl]methanamine
CID 62072221
3-[(4-fluorophenyl)sulfonylmethyl]aniline
CID 43382293
1-fluoro-2-[(4-fluorophenyl)sulfonylmethyl]benzene
CID 60777072
2,4-difluoro-1-[(4-fluorophenyl)sulfonylmethyl]benzene
CID 64717962
[2-fluoro-5-(3-methylbutylsulfonylmethyl)phenyl]methanamine
CID 107881607
5-[(4-fluorophenyl)sulfonylmethyl]-2-methoxyaniline
CID 43444217
2-[3-(aminomethyl)-4-fluorophenyl]ethanamine
CID 55255604
[5-fluoro-2-[(4-methylphenyl)sulfonylmethyl]phenyl]methanamine
CID 64697774
[4-[(4-bromophenyl)sulfonylmethyl]-3-fluorophenyl]methanamine
CID 64696775

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-5-[(4-fluorophenyl)sulfonylmethyl]phenyl]methanamine?
The IUPAC name of [2-fluoro-5-[(4-fluorophenyl)sulfonylmethyl]phenyl]methanamine (CID 107881466) is [2-fluoro-5-[(4-fluorophenyl)sulfonylmethyl]phenyl]methanamine.
What is the SMILES notation for [2-fluoro-5-[(4-fluorophenyl)sulfonylmethyl]phenyl]methanamine?
The canonical SMILES for [2-fluoro-5-[(4-fluorophenyl)sulfonylmethyl]phenyl]methanamine is NCc1cc(CS(=O)(=O)c2ccc(F)cc2)ccc1F.
What is the InChIKey of [2-fluoro-5-[(4-fluorophenyl)sulfonylmethyl]phenyl]methanamine?
The InChIKey is ZURMKZXVJOEXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO2S/c15-12-2-4-13(5-3-12)20(18,19)9-10-1-6-14(16)11(7-10)8-17/h1-7H,8-9,17H2.
What are the key properties of [2-fluoro-5-[(4-fluorophenyl)sulfonylmethyl]phenyl]methanamine?
[2-fluoro-5-[(4-fluorophenyl)sulfonylmethyl]phenyl]methanamine has a molecular weight of 297.33 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-5-[(4-fluorophenyl)sulfonylmethyl]phenyl]methanamine is sourced from PubChem (CID 107881466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).