(2,5-difluorophenyl)-(4-methylsulfonylphenyl)methanamine

C14H13F2NO2S — CID 43197870

IUPAC(2,5-difluorophenyl)-(4-methylsulfonylphenyl)methanamine
SMILESCS(=O)(=O)c1ccc(C(N)c2cc(F)ccc2F)cc1
InChIInChI=1S/C14H13F2NO2S/c1-20(18,19)11-5-2-9(3-6-11)14(17)12-8-10(15)4-7-13(12)16/h2-8,14H,17H2,1H3
InChIKeyNNENQRROESFYQJ-UHFFFAOYSA-N
MW297.33 g/mol
LogP2.42
Rot. Bonds3

About (2,5-difluorophenyl)-(4-methylsulfonylphenyl)methanamine

(2,5-difluorophenyl)-(4-methylsulfonylphenyl)methanamine (PubChem CID 43197870) has the molecular formula C14H13F2NO2S and a molecular weight of 297.33 g/mol. Its IUPAC name is (2,5-difluorophenyl)-(4-methylsulfonylphenyl)methanamine.

Molecular Properties

Compound Name(2,5-difluorophenyl)-(4-methylsulfonylphenyl)methanamine
PubChem CID43197870
Molecular FormulaC14H13F2NO2S
Molecular Weight297.33 g/mol
Exact Mass297.06
IUPAC Name(2,5-difluorophenyl)-(4-methylsulfonylphenyl)methanamine
SMILESCS(=O)(=O)c1ccc(C(N)c2cc(F)ccc2F)cc1
InChIInChI=1S/C14H13F2NO2S/c1-20(18,19)11-5-2-9(3-6-11)14(17)12-8-10(15)4-7-13(12)16/h2-8,14H,17H2,1H3
InChIKeyNNENQRROESFYQJ-UHFFFAOYSA-N
XLogP2.42
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluorophenyl)-(4-methylsulfonylphenyl)methanamine
CID 24689230
(5-fluoro-3-pyridinyl)-(4-methylsulfonylphenyl)methanamine
CID 115804928
(3-bromo-2-fluorophenyl)-(4-methylsulfonylphenyl)methanamine
CID 106647644
(2-chloro-5-fluorophenyl)-(4-chlorophenyl)methanamine
CID 105394650
2-[bromo-(4-methylsulfonylphenyl)methyl]-4-fluoro-1-methoxybenzene
CID 61098756
(2-ethoxyphenyl)-(4-methylsulfonylphenyl)methanamine
CID 115853675
(5-chloro-2-fluorophenyl)-(4-propan-2-ylphenyl)methanamine
CID 43625242
2-(2,5-difluorophenoxy)-1-(4-methylsulfonylphenyl)ethanol
CID 109415720
4-[chloro-(4-methylsulfonylphenyl)methyl]-1,2-difluorobenzene
CID 61086005
(2,5-difluorophenyl)-(2-methyl-4-pyridinyl)methanamine
CID 106755257
(4-methyl-3-pyridinyl)-(4-methylsulfonylphenyl)methanamine
CID 105006479
2-[chloro-(4-methylsulfonylphenyl)methyl]-1,3,5-trifluorobenzene
CID 61084333

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-(4-methylsulfonylphenyl)methanamine?
The IUPAC name of (2,5-difluorophenyl)-(4-methylsulfonylphenyl)methanamine (CID 43197870) is (2,5-difluorophenyl)-(4-methylsulfonylphenyl)methanamine.
What is the SMILES notation for (2,5-difluorophenyl)-(4-methylsulfonylphenyl)methanamine?
The canonical SMILES for (2,5-difluorophenyl)-(4-methylsulfonylphenyl)methanamine is CS(=O)(=O)c1ccc(C(N)c2cc(F)ccc2F)cc1.
What is the InChIKey of (2,5-difluorophenyl)-(4-methylsulfonylphenyl)methanamine?
The InChIKey is NNENQRROESFYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO2S/c1-20(18,19)11-5-2-9(3-6-11)14(17)12-8-10(15)4-7-13(12)16/h2-8,14H,17H2,1H3.
What are the key properties of (2,5-difluorophenyl)-(4-methylsulfonylphenyl)methanamine?
(2,5-difluorophenyl)-(4-methylsulfonylphenyl)methanamine has a molecular weight of 297.33 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)-(4-methylsulfonylphenyl)methanamine is sourced from PubChem (CID 43197870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).