[4-[(3-fluorophenyl)sulfonylmethyl]-3-methylphenyl]methanamine

C15H16FNO2S — CID 114486173

IUPAC[4-[(3-fluorophenyl)sulfonylmethyl]-3-methylphenyl]methanamine
SMILESCc1cc(CN)ccc1CS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C15H16FNO2S/c1-11-7-12(9-17)5-6-13(11)10-20(18,19)15-4-2-3-14(16)8-15/h2-8H,9-10,17H2,1H3
InChIKeyKWYBKWVGFDQYRA-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.57
Rot. Bonds4

About [4-[(3-fluorophenyl)sulfonylmethyl]-3-methylphenyl]methanamine

[4-[(3-fluorophenyl)sulfonylmethyl]-3-methylphenyl]methanamine (PubChem CID 114486173) has the molecular formula C15H16FNO2S and a molecular weight of 293.36 g/mol. Its IUPAC name is [4-[(3-fluorophenyl)sulfonylmethyl]-3-methylphenyl]methanamine.

Molecular Properties

Compound Name[4-[(3-fluorophenyl)sulfonylmethyl]-3-methylphenyl]methanamine
PubChem CID114486173
Molecular FormulaC15H16FNO2S
Molecular Weight293.36 g/mol
Exact Mass293.09
IUPAC Name[4-[(3-fluorophenyl)sulfonylmethyl]-3-methylphenyl]methanamine
SMILESCc1cc(CN)ccc1CS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C15H16FNO2S/c1-11-7-12(9-17)5-6-13(11)10-20(18,19)15-4-2-3-14(16)8-15/h2-8H,9-10,17H2,1H3
InChIKeyKWYBKWVGFDQYRA-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

[4-[(3-bromophenyl)sulfonylmethyl]-3-methylphenyl]methanamine
CID 114486162
[4-[(3,4-dimethylphenyl)sulfonylmethyl]-3-methylphenyl]methanamine
CID 114486133
3-[(4-fluoro-2-methylphenyl)methylsulfonyl]aniline
CID 114350191
N-[4-(aminomethyl)phenyl]-N-ethyl-3-fluorobenzenesulfonamide
CID 43275766
4-bromo-2-chloro-1-[(3-fluorophenyl)sulfonylmethyl]benzene
CID 115684180
[5-fluoro-2-[(4-methylphenyl)sulfonylmethyl]phenyl]methanamine
CID 64697774
[4-[(4-bromophenyl)sulfonylmethyl]-3-fluorophenyl]methanamine
CID 64696775
N-[3-(aminomethyl)phenyl]-3-fluorobenzenesulfonamide
CID 16778006
4-fluoro-1-[(2-fluorophenyl)sulfonylmethyl]-2-methylbenzene
CID 114349484
1-[3-[(3-fluorophenyl)sulfonylmethyl]-4-hydroxyphenyl]ethanone
CID 106584672
3-bromo-4-[(3-fluorophenyl)sulfonylmethyl]benzoic acid
CID 102766383
methyl 2-[(3-fluorophenyl)sulfonylmethyl]benzoate
CID 82957935

Frequently Asked Questions

What is the IUPAC name of [4-[(3-fluorophenyl)sulfonylmethyl]-3-methylphenyl]methanamine?
The IUPAC name of [4-[(3-fluorophenyl)sulfonylmethyl]-3-methylphenyl]methanamine (CID 114486173) is [4-[(3-fluorophenyl)sulfonylmethyl]-3-methylphenyl]methanamine.
What is the SMILES notation for [4-[(3-fluorophenyl)sulfonylmethyl]-3-methylphenyl]methanamine?
The canonical SMILES for [4-[(3-fluorophenyl)sulfonylmethyl]-3-methylphenyl]methanamine is Cc1cc(CN)ccc1CS(=O)(=O)c1cccc(F)c1.
What is the InChIKey of [4-[(3-fluorophenyl)sulfonylmethyl]-3-methylphenyl]methanamine?
The InChIKey is KWYBKWVGFDQYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2S/c1-11-7-12(9-17)5-6-13(11)10-20(18,19)15-4-2-3-14(16)8-15/h2-8H,9-10,17H2,1H3.
What are the key properties of [4-[(3-fluorophenyl)sulfonylmethyl]-3-methylphenyl]methanamine?
[4-[(3-fluorophenyl)sulfonylmethyl]-3-methylphenyl]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 [4-[(3-fluorophenyl)sulfonylmethyl]-3-methylphenyl]methanamine is sourced from PubChem (CID 114486173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).