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

C15H16FNO2S — CID 64697774

IUPAC[5-fluoro-2-[(4-methylphenyl)sulfonylmethyl]phenyl]methanamine
SMILESCc1ccc(S(=O)(=O)Cc2ccc(F)cc2CN)cc1
InChIInChI=1S/C15H16FNO2S/c1-11-2-6-15(7-3-11)20(18,19)10-12-4-5-14(16)8-13(12)9-17/h2-8H,9-10,17H2,1H3
InChIKeyAIFIMFJWOWSNHD-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.57
Rot. Bonds4

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

[5-fluoro-2-[(4-methylphenyl)sulfonylmethyl]phenyl]methanamine (PubChem CID 64697774) has the molecular formula C15H16FNO2S and a molecular weight of 293.36 g/mol. Its IUPAC name is [5-fluoro-2-[(4-methylphenyl)sulfonylmethyl]phenyl]methanamine.

Molecular Properties

Compound Name[5-fluoro-2-[(4-methylphenyl)sulfonylmethyl]phenyl]methanamine
PubChem CID64697774
Molecular FormulaC15H16FNO2S
Molecular Weight293.36 g/mol
Exact Mass293.09
IUPAC Name[5-fluoro-2-[(4-methylphenyl)sulfonylmethyl]phenyl]methanamine
SMILESCc1ccc(S(=O)(=O)Cc2ccc(F)cc2CN)cc1
InChIInChI=1S/C15H16FNO2S/c1-11-2-6-15(7-3-11)20(18,19)10-12-4-5-14(16)8-13(12)9-17/h2-8H,9-10,17H2,1H3
InChIKeyAIFIMFJWOWSNHD-UHFFFAOYSA-N
XLogP2.57
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(4-chlorophenyl)sulfonylmethyl]-5-fluorophenyl]methanamine
CID 64697361
[2-[(4-chlorophenyl)sulfonylmethyl]-4-fluorophenyl]methanamine
CID 64763606
2,4-difluoro-1-[(4-fluorophenyl)sulfonylmethyl]benzene
CID 64717962
[2-methoxy-5-[(4-methylphenyl)sulfonylmethyl]phenyl]methanamine
CID 65343771
[2-(aminomethyl)-4-fluorophenyl]methanamine
CID 44784876
[2-[(2,5-dichlorophenyl)sulfonylmethyl]-5-fluorophenyl]methanamine
CID 64697782
[4-fluoro-2-(2-methylpropylsulfonylmethyl)phenyl]methanamine
CID 64764702
[2-fluoro-5-[(4-fluorophenyl)sulfonylmethyl]phenyl]methanamine
CID 107881466
[4-fluoro-2-[(4-methylphenyl)sulfanylmethyl]phenyl]methanamine
CID 64764660
3-fluoro-4-[(4-methylphenyl)sulfonylmethyl]benzonitrile
CID 60731049
[4-[(3-fluorophenyl)sulfonylmethyl]-3-methylphenyl]methanamine
CID 114486173
1,2-bis(bromomethyl)-4-chlorobenzene;5-chloro-2,3-dihydro-1H-isoindole;4-chloro-1,2-dimethylbenzene;[5-chloro-2-[(4-methylphenyl)sulfonylmethyl]phenyl]methanamine
CID 161355978

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-[(4-methylphenyl)sulfonylmethyl]phenyl]methanamine?
The IUPAC name of [5-fluoro-2-[(4-methylphenyl)sulfonylmethyl]phenyl]methanamine (CID 64697774) is [5-fluoro-2-[(4-methylphenyl)sulfonylmethyl]phenyl]methanamine.
What is the SMILES notation for [5-fluoro-2-[(4-methylphenyl)sulfonylmethyl]phenyl]methanamine?
The canonical SMILES for [5-fluoro-2-[(4-methylphenyl)sulfonylmethyl]phenyl]methanamine is Cc1ccc(S(=O)(=O)Cc2ccc(F)cc2CN)cc1.
What is the InChIKey of [5-fluoro-2-[(4-methylphenyl)sulfonylmethyl]phenyl]methanamine?
The InChIKey is AIFIMFJWOWSNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2S/c1-11-2-6-15(7-3-11)20(18,19)10-12-4-5-14(16)8-13(12)9-17/h2-8H,9-10,17H2,1H3.
What are the key properties of [5-fluoro-2-[(4-methylphenyl)sulfonylmethyl]phenyl]methanamine?
[5-fluoro-2-[(4-methylphenyl)sulfonylmethyl]phenyl]methanamine has a molecular weight of 293.36 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-[(4-methylphenyl)sulfonylmethyl]phenyl]methanamine is sourced from PubChem (CID 64697774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).