2-[1-[(2,4-difluorophenyl)sulfonylmethyl]cyclopropyl]ethanamine

C12H15F2NO2S — CID 65494913

IUPAC2-[1-[(2,4-difluorophenyl)sulfonylmethyl]cyclopropyl]ethanamine
SMILESNCCC1(CS(=O)(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C12H15F2NO2S/c13-9-1-2-11(10(14)7-9)18(16,17)8-12(3-4-12)5-6-15/h1-2,7H,3-6,8,15H2
InChIKeyBJETWEGJGRLFOK-UHFFFAOYSA-N
MW275.32 g/mol
LogP1.87
Rot. Bonds5

About 2-[1-[(2,4-difluorophenyl)sulfonylmethyl]cyclopropyl]ethanamine

2-[1-[(2,4-difluorophenyl)sulfonylmethyl]cyclopropyl]ethanamine (PubChem CID 65494913) has the molecular formula C12H15F2NO2S and a molecular weight of 275.32 g/mol. Its IUPAC name is 2-[1-[(2,4-difluorophenyl)sulfonylmethyl]cyclopropyl]ethanamine.

Molecular Properties

Compound Name2-[1-[(2,4-difluorophenyl)sulfonylmethyl]cyclopropyl]ethanamine
PubChem CID65494913
Molecular FormulaC12H15F2NO2S
Molecular Weight275.32 g/mol
Exact Mass275.08
IUPAC Name2-[1-[(2,4-difluorophenyl)sulfonylmethyl]cyclopropyl]ethanamine
SMILESNCCC1(CS(=O)(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C12H15F2NO2S/c13-9-1-2-11(10(14)7-9)18(16,17)8-12(3-4-12)5-6-15/h1-2,7H,3-6,8,15H2
InChIKeyBJETWEGJGRLFOK-UHFFFAOYSA-N
XLogP1.87
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(bromomethyl)cyclopentyl]methylsulfonyl]-2,4-difluorobenzene
CID 65001618
1-[[1-(bromomethyl)cyclobutyl]methylsulfonyl]-2,4-difluorobenzene
CID 65009748
[3-[(2,4-difluorophenyl)sulfonylmethyl]phenyl]methanamine
CID 64698419
3-(2,4-difluorophenyl)sulfonyl-2-methylpropan-1-amine
CID 64698220
1-(2-chloroethylsulfonyl)-2,4-difluorobenzene
CID 43345431
2,4-difluoro-1-methylsulfonylbenzene
CID 2758336
1-(bromomethyl)-1-[(2,5-difluorophenyl)sulfonylmethyl]cycloheptane
CID 65005457
1-cyclopropyl-2-(2,4-difluorophenyl)sulfonylethanamine
CID 64646053
2,4-difluoro-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide
CID 115902822
1-(2,4-difluorophenyl)sulfonylbutan-2-amine
CID 64645054
2,4-difluoro-1-methylsulfonylbenzene;titanium
CID 174383433
N-[1-(aminomethyl)cyclopentyl]-2,4-difluoro-N-methylbenzenesulfonamide
CID 62010238

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,4-difluorophenyl)sulfonylmethyl]cyclopropyl]ethanamine?
The IUPAC name of 2-[1-[(2,4-difluorophenyl)sulfonylmethyl]cyclopropyl]ethanamine (CID 65494913) is 2-[1-[(2,4-difluorophenyl)sulfonylmethyl]cyclopropyl]ethanamine.
What is the SMILES notation for 2-[1-[(2,4-difluorophenyl)sulfonylmethyl]cyclopropyl]ethanamine?
The canonical SMILES for 2-[1-[(2,4-difluorophenyl)sulfonylmethyl]cyclopropyl]ethanamine is NCCC1(CS(=O)(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of 2-[1-[(2,4-difluorophenyl)sulfonylmethyl]cyclopropyl]ethanamine?
The InChIKey is BJETWEGJGRLFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2S/c13-9-1-2-11(10(14)7-9)18(16,17)8-12(3-4-12)5-6-15/h1-2,7H,3-6,8,15H2.
What are the key properties of 2-[1-[(2,4-difluorophenyl)sulfonylmethyl]cyclopropyl]ethanamine?
2-[1-[(2,4-difluorophenyl)sulfonylmethyl]cyclopropyl]ethanamine has a molecular weight of 275.32 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,4-difluorophenyl)sulfonylmethyl]cyclopropyl]ethanamine is sourced from PubChem (CID 65494913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).