(3,4-difluorophenyl)-(3-methylsulfonylphenyl)methanamine

C14H13F2NO2S — CID 43197558

IUPAC(3,4-difluorophenyl)-(3-methylsulfonylphenyl)methanamine
SMILESCS(=O)(=O)c1cccc(C(N)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C14H13F2NO2S/c1-20(18,19)11-4-2-3-9(7-11)14(17)10-5-6-12(15)13(16)8-10/h2-8,14H,17H2,1H3
InChIKeyWSPBMUBZJKLYNF-UHFFFAOYSA-N
MW297.33 g/mol
LogP2.42
Rot. Bonds3

About (3,4-difluorophenyl)-(3-methylsulfonylphenyl)methanamine

(3,4-difluorophenyl)-(3-methylsulfonylphenyl)methanamine (PubChem CID 43197558) has the molecular formula C14H13F2NO2S and a molecular weight of 297.33 g/mol. Its IUPAC name is (3,4-difluorophenyl)-(3-methylsulfonylphenyl)methanamine.

Molecular Properties

Compound Name(3,4-difluorophenyl)-(3-methylsulfonylphenyl)methanamine
PubChem CID43197558
Molecular FormulaC14H13F2NO2S
Molecular Weight297.33 g/mol
Exact Mass297.06
IUPAC Name(3,4-difluorophenyl)-(3-methylsulfonylphenyl)methanamine
SMILESCS(=O)(=O)c1cccc(C(N)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C14H13F2NO2S/c1-20(18,19)11-4-2-3-9(7-11)14(17)10-5-6-12(15)13(16)8-10/h2-8,14H,17H2,1H3
InChIKeyWSPBMUBZJKLYNF-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

N-((S)-1-{4-[2-(2-Fluoro-benzenesulfonyl)-4-methyl-benzenesulfonyl]-phenyl}-ethyl)-methanesulfonamide
CID 11756106
4-Methylsulfonylbenzylamine
CID 57421
N-(1-Phenylethyl)benzenesulfonamide
CID 99969
2-(3-Benzenesulfonyl)phenyl-1-aminoethane
CID 11849199
N-((S)-1-{4-[2-(2-Fluoro-benzenesulfonyl)-4-trifluoromethyl-benzenesulfonyl]-phenyl}-ethyl)-methanesulfonamide
CID 10415499
N-((S)-1-{4-[2-(2-Fluoro-benzenesulfonyl)-4-trifluoromethyl-benzyl]-phenyl}-ethyl)-methanesulfonamide
CID 44404934
(2-Methanesulfonylphenyl)methanamine
CID 16218335
N-((S)-1-{4-[2-(2,6-Difluoro-benzenesulfonyl)-4-trifluoromethyl-benzyl]-phenyl}-ethyl)-methanesulfonamide
CID 44404867
N-((S)-1-{4-[2-(3-Fluoro-benzenesulfonyl)-4-trifluoromethyl-benzyl]-phenyl}-ethyl)-methanesulfonamide
CID 44404879
N-benzyl-4-methylsulfanylbenzenesulfonamide
CID 967740
1-(4-(Methylsulfonyl)phenyl)ethanamine
CID 2736900
(3-(Methylsulfonyl)phenyl)methanamine
CID 2760937

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-(3-methylsulfonylphenyl)methanamine?
The IUPAC name of (3,4-difluorophenyl)-(3-methylsulfonylphenyl)methanamine (CID 43197558) is (3,4-difluorophenyl)-(3-methylsulfonylphenyl)methanamine.
What is the SMILES notation for (3,4-difluorophenyl)-(3-methylsulfonylphenyl)methanamine?
The canonical SMILES for (3,4-difluorophenyl)-(3-methylsulfonylphenyl)methanamine is CS(=O)(=O)c1cccc(C(N)c2ccc(F)c(F)c2)c1.
What is the InChIKey of (3,4-difluorophenyl)-(3-methylsulfonylphenyl)methanamine?
The InChIKey is WSPBMUBZJKLYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO2S/c1-20(18,19)11-4-2-3-9(7-11)14(17)10-5-6-12(15)13(16)8-10/h2-8,14H,17H2,1H3.
What are the key properties of (3,4-difluorophenyl)-(3-methylsulfonylphenyl)methanamine?
(3,4-difluorophenyl)-(3-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 (3,4-difluorophenyl)-(3-methylsulfonylphenyl)methanamine is sourced from PubChem (CID 43197558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).