N-(2-cyclopropylethyl)-2-(difluoromethylsulfonyl)-N-methylaniline

C13H17F2NO2S — CID 133398357

IUPACN-(2-cyclopropylethyl)-2-(difluoromethylsulfonyl)-N-methylaniline
SMILESCN(CCC1CC1)c1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C13H17F2NO2S/c1-16(9-8-10-6-7-10)11-4-2-3-5-12(11)19(17,18)13(14)15/h2-5,10,13H,6-9H2,1H3
InChIKeyYQZJBNVZVIEJLY-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.92
Rot. Bonds6

About N-(2-cyclopropylethyl)-2-(difluoromethylsulfonyl)-N-methylaniline

N-(2-cyclopropylethyl)-2-(difluoromethylsulfonyl)-N-methylaniline (PubChem CID 133398357) has the molecular formula C13H17F2NO2S and a molecular weight of 289.35 g/mol. Its IUPAC name is N-(2-cyclopropylethyl)-2-(difluoromethylsulfonyl)-N-methylaniline.

Molecular Properties

Compound NameN-(2-cyclopropylethyl)-2-(difluoromethylsulfonyl)-N-methylaniline
PubChem CID133398357
Molecular FormulaC13H17F2NO2S
Molecular Weight289.35 g/mol
Exact Mass289.09
IUPAC NameN-(2-cyclopropylethyl)-2-(difluoromethylsulfonyl)-N-methylaniline
SMILESCN(CCC1CC1)c1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C13H17F2NO2S/c1-16(9-8-10-6-7-10)11-4-2-3-5-12(11)19(17,18)13(14)15/h2-5,10,13H,6-9H2,1H3
InChIKeyYQZJBNVZVIEJLY-UHFFFAOYSA-N
XLogP2.92
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloroethyl)-2-(difluoromethylsulfonyl)-N-methylaniline
CID 63388745
N-(2-chloropropyl)-2-(difluoromethylsulfonyl)-N-methylaniline
CID 63392463
2-[2-(difluoromethylsulfonyl)-N-methylanilino]-N,N-dimethylacetamide
CID 133282320
N'-(2-aminoethyl)-N'-[2-(difluoromethylsulfonyl)phenyl]ethane-1,2-diamine
CID 62922768
N-(1-bromo-2-methylpropan-2-yl)-2-(difluoromethylsulfonyl)-N-methylaniline
CID 113476479
2-[N-cyclobutyl-2-(difluoromethylsulfonyl)anilino]ethanol
CID 102868971
N-[2-(difluoromethylsulfonyl)phenyl]-N-propylpyrrolidin-3-amine
CID 63304136
N-[2-(difluoromethylsulfonyl)phenyl]-N-methylpiperidin-3-amine
CID 63643765
N-cyclopropyl-N'-methyl-N'-(2-methylsulfonylphenyl)ethane-1,2-diamine
CID 62587825
4-[N-methyl-2-(trifluoromethylsulfonyl)anilino]butan-2-ol
CID 115658301
2-[2-(difluoromethylsulfonyl)-N-propan-2-ylanilino]acetic acid
CID 60830041
4-[[2-(difluoromethylsulfonyl)anilino]methyl]cyclohexan-1-ol
CID 106129965

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylethyl)-2-(difluoromethylsulfonyl)-N-methylaniline?
The IUPAC name of N-(2-cyclopropylethyl)-2-(difluoromethylsulfonyl)-N-methylaniline (CID 133398357) is N-(2-cyclopropylethyl)-2-(difluoromethylsulfonyl)-N-methylaniline.
What is the SMILES notation for N-(2-cyclopropylethyl)-2-(difluoromethylsulfonyl)-N-methylaniline?
The canonical SMILES for N-(2-cyclopropylethyl)-2-(difluoromethylsulfonyl)-N-methylaniline is CN(CCC1CC1)c1ccccc1S(=O)(=O)C(F)F.
What is the InChIKey of N-(2-cyclopropylethyl)-2-(difluoromethylsulfonyl)-N-methylaniline?
The InChIKey is YQZJBNVZVIEJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2S/c1-16(9-8-10-6-7-10)11-4-2-3-5-12(11)19(17,18)13(14)15/h2-5,10,13H,6-9H2,1H3.
What are the key properties of N-(2-cyclopropylethyl)-2-(difluoromethylsulfonyl)-N-methylaniline?
N-(2-cyclopropylethyl)-2-(difluoromethylsulfonyl)-N-methylaniline has a molecular weight of 289.35 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylethyl)-2-(difluoromethylsulfonyl)-N-methylaniline is sourced from PubChem (CID 133398357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).