N-[2-(2,4-difluorophenyl)sulfonylethyl]-2-methylpropan-2-amine

C12H17F2NO2S — CID 64646246

IUPACN-[2-(2,4-difluorophenyl)sulfonylethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C12H17F2NO2S/c1-12(2,3)15-6-7-18(16,17)11-5-4-9(13)8-10(11)14/h4-5,8,15H,6-7H2,1-3H3
InChIKeyLHCGUNJCVNFHPL-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.13
Rot. Bonds4

About N-[2-(2,4-difluorophenyl)sulfonylethyl]-2-methylpropan-2-amine

N-[2-(2,4-difluorophenyl)sulfonylethyl]-2-methylpropan-2-amine (PubChem CID 64646246) has the molecular formula C12H17F2NO2S and a molecular weight of 277.34 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenyl)sulfonylethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenyl)sulfonylethyl]-2-methylpropan-2-amine
PubChem CID64646246
Molecular FormulaC12H17F2NO2S
Molecular Weight277.34 g/mol
Exact Mass277.09
IUPAC NameN-[2-(2,4-difluorophenyl)sulfonylethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C12H17F2NO2S/c1-12(2,3)15-6-7-18(16,17)11-5-4-9(13)8-10(11)14/h4-5,8,15H,6-7H2,1-3H3
InChIKeyLHCGUNJCVNFHPL-UHFFFAOYSA-N
XLogP2.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-difluorophenyl)sulfonyl-N-ethylpropan-1-amine
CID 64645454
1-(2-chloroethylsulfonyl)-2,4-difluorobenzene
CID 43345431
4-(2,4-difluorophenyl)sulfonyl-2,2-dimethylbutanenitrile
CID 65262832
1-(4-bromobutylsulfonyl)-2,4-difluorobenzene
CID 43167546
6-(2,4-difluorophenyl)sulfonyl-2,2-dimethylhexan-1-amine
CID 106714748
6-(2,4-difluorophenyl)sulfonyl-N-methylhexan-2-amine
CID 64644461
2,4-difluoro-1-methylsulfonylbenzene
CID 2758336
1-(2,4-difluorophenyl)sulfonyl-N-propylpropan-2-amine
CID 64644856
3-(tert-butylamino)-1-(2,4-difluorophenyl)propan-1-one
CID 116557890
N-[2-(4-tert-butylphenyl)sulfonylethyl]-2-methylpropan-2-amine
CID 64644839
1-(2,4-difluorophenyl)sulfonylbutan-2-amine
CID 64645054
2,4-difluoro-1-methylsulfonylbenzene;titanium
CID 174383433

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenyl)sulfonylethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(2,4-difluorophenyl)sulfonylethyl]-2-methylpropan-2-amine (CID 64646246) is N-[2-(2,4-difluorophenyl)sulfonylethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(2,4-difluorophenyl)sulfonylethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(2,4-difluorophenyl)sulfonylethyl]-2-methylpropan-2-amine is CC(C)(C)NCCS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of N-[2-(2,4-difluorophenyl)sulfonylethyl]-2-methylpropan-2-amine?
The InChIKey is LHCGUNJCVNFHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO2S/c1-12(2,3)15-6-7-18(16,17)11-5-4-9(13)8-10(11)14/h4-5,8,15H,6-7H2,1-3H3.
What are the key properties of N-[2-(2,4-difluorophenyl)sulfonylethyl]-2-methylpropan-2-amine?
N-[2-(2,4-difluorophenyl)sulfonylethyl]-2-methylpropan-2-amine has a molecular weight of 277.34 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenyl)sulfonylethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 64646246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).