(4-fluorophenyl)-(4-methylsulfonylphenyl)methanamine

C14H14FNO2S — CID 24689230

IUPAC(4-fluorophenyl)-(4-methylsulfonylphenyl)methanamine
SMILESCS(=O)(=O)c1ccc(C(N)c2ccc(F)cc2)cc1
InChIInChI=1S/C14H14FNO2S/c1-19(17,18)13-8-4-11(5-9-13)14(16)10-2-6-12(15)7-3-10/h2-9,14H,16H2,1H3
InChIKeyMQAFBOKSRRRDCW-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.28
Rot. Bonds3

About (4-fluorophenyl)-(4-methylsulfonylphenyl)methanamine

(4-fluorophenyl)-(4-methylsulfonylphenyl)methanamine (PubChem CID 24689230) has the molecular formula C14H14FNO2S and a molecular weight of 279.34 g/mol. Its IUPAC name is (4-fluorophenyl)-(4-methylsulfonylphenyl)methanamine.

Molecular Properties

Compound Name(4-fluorophenyl)-(4-methylsulfonylphenyl)methanamine
PubChem CID24689230
Molecular FormulaC14H14FNO2S
Molecular Weight279.34 g/mol
Exact Mass279.07
IUPAC Name(4-fluorophenyl)-(4-methylsulfonylphenyl)methanamine
SMILESCS(=O)(=O)c1ccc(C(N)c2ccc(F)cc2)cc1
InChIInChI=1S/C14H14FNO2S/c1-19(17,18)13-8-4-11(5-9-13)14(16)10-2-6-12(15)7-3-10/h2-9,14H,16H2,1H3
InChIKeyMQAFBOKSRRRDCW-UHFFFAOYSA-N
XLogP2.28
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-difluorophenyl)-(4-methylsulfonylphenyl)methanamine
CID 43197870
(5-fluoro-3-pyridinyl)-(4-methylsulfonylphenyl)methanamine
CID 115804928
bis(4-fluorophenyl)methanamine
CID 10955039
N-[(4-fluorophenyl)-(4-methylsulfonylphenyl)methyl]ethanamine
CID 43488878
4-fluoro-N-[1-(4-methylsulfonylphenyl)ethyl]aniline
CID 43194681
amino-(4-methylsulfonylphenyl)methanol
CID 116939660
(3-bromo-2-fluorophenyl)-(4-methylsulfonylphenyl)methanamine
CID 106647644
(4-methylsulfonylphenyl)-(5-methylthiophen-2-yl)methanamine
CID 43198043
(1S,2S,3R)-1,3-difluoro-1-(4-methylsulfonylphenyl)butan-2-amine
CID 166062873
(1R)-3,3,3-trifluoro-1-(4-methylsulfonylphenyl)propan-1-amine
CID 171198392
(1S)-3,3-difluoro-1-(4-methylsulfonylphenyl)propan-1-amine
CID 171312805
(4-fluorophenyl)-phenylmethanamine
CID 11183272

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(4-methylsulfonylphenyl)methanamine?
The IUPAC name of (4-fluorophenyl)-(4-methylsulfonylphenyl)methanamine (CID 24689230) is (4-fluorophenyl)-(4-methylsulfonylphenyl)methanamine.
What is the SMILES notation for (4-fluorophenyl)-(4-methylsulfonylphenyl)methanamine?
The canonical SMILES for (4-fluorophenyl)-(4-methylsulfonylphenyl)methanamine is CS(=O)(=O)c1ccc(C(N)c2ccc(F)cc2)cc1.
What is the InChIKey of (4-fluorophenyl)-(4-methylsulfonylphenyl)methanamine?
The InChIKey is MQAFBOKSRRRDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2S/c1-19(17,18)13-8-4-11(5-9-13)14(16)10-2-6-12(15)7-3-10/h2-9,14H,16H2,1H3.
What are the key properties of (4-fluorophenyl)-(4-methylsulfonylphenyl)methanamine?
(4-fluorophenyl)-(4-methylsulfonylphenyl)methanamine has a molecular weight of 279.34 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(4-methylsulfonylphenyl)methanamine is sourced from PubChem (CID 24689230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).