N-[(2,4-difluorophenyl)methyl]-N-[2-(2,5-dimethylphenyl)sulfonylethyl]cyclopropanamine

C20H23F2NO2S — CID 52677439

IUPACN-[(2,4-difluorophenyl)methyl]-N-[2-(2,5-dimethylphenyl)sulfonylethyl]cyclopropanamine
SMILESCc1ccc(C)c(S(=O)(=O)CCN(Cc2ccc(F)cc2F)C2CC2)c1
InChIInChI=1S/C20H23F2NO2S/c1-14-3-4-15(2)20(11-14)26(24,25)10-9-23(18-7-8-18)13-16-5-6-17(21)12-19(16)22/h3-6,11-12,18H,7-10,13H2,1-2H3
InChIKeyXEPOMWMJLRPSGX-UHFFFAOYSA-N
MW379.47 g/mol
LogP4.02
Rot. Bonds7

About N-[(2,4-difluorophenyl)methyl]-N-[2-(2,5-dimethylphenyl)sulfonylethyl]cyclopropanamine

N-[(2,4-difluorophenyl)methyl]-N-[2-(2,5-dimethylphenyl)sulfonylethyl]cyclopropanamine (PubChem CID 52677439) has the molecular formula C20H23F2NO2S and a molecular weight of 379.47 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-N-[2-(2,5-dimethylphenyl)sulfonylethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-N-[2-(2,5-dimethylphenyl)sulfonylethyl]cyclopropanamine
PubChem CID52677439
Molecular FormulaC20H23F2NO2S
Molecular Weight379.47 g/mol
Exact Mass379.14
IUPAC NameN-[(2,4-difluorophenyl)methyl]-N-[2-(2,5-dimethylphenyl)sulfonylethyl]cyclopropanamine
SMILESCc1ccc(C)c(S(=O)(=O)CCN(Cc2ccc(F)cc2F)C2CC2)c1
InChIInChI=1S/C20H23F2NO2S/c1-14-3-4-15(2)20(11-14)26(24,25)10-9-23(18-7-8-18)13-16-5-6-17(21)12-19(16)22/h3-6,11-12,18H,7-10,13H2,1-2H3
InChIKeyXEPOMWMJLRPSGX-UHFFFAOYSA-N
XLogP4.02
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-[2-(2,5-dimethylphenyl)sulfonylethyl]cyclopropanamine?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-[2-(2,5-dimethylphenyl)sulfonylethyl]cyclopropanamine (CID 52677439) is N-[(2,4-difluorophenyl)methyl]-N-[2-(2,5-dimethylphenyl)sulfonylethyl]cyclopropanamine.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-N-[2-(2,5-dimethylphenyl)sulfonylethyl]cyclopropanamine?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-N-[2-(2,5-dimethylphenyl)sulfonylethyl]cyclopropanamine is Cc1ccc(C)c(S(=O)(=O)CCN(Cc2ccc(F)cc2F)C2CC2)c1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-N-[2-(2,5-dimethylphenyl)sulfonylethyl]cyclopropanamine?
The InChIKey is XEPOMWMJLRPSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2NO2S/c1-14-3-4-15(2)20(11-14)26(24,25)10-9-23(18-7-8-18)13-16-5-6-17(21)12-19(16)22/h3-6,11-12,18H,7-10,13H2,1-2H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-N-[2-(2,5-dimethylphenyl)sulfonylethyl]cyclopropanamine?
N-[(2,4-difluorophenyl)methyl]-N-[2-(2,5-dimethylphenyl)sulfonylethyl]cyclopropanamine has a molecular weight of 379.47 g/mol, XLogP of 4.02, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-N-[2-(2,5-dimethylphenyl)sulfonylethyl]cyclopropanamine is sourced from PubChem (CID 52677439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).