N-(dicyclopropylmethyl)-2-(trifluoromethylsulfonyl)aniline

C14H16F3NO2S — CID 60754108

IUPACN-(dicyclopropylmethyl)-2-(trifluoromethylsulfonyl)aniline
SMILESO=S(=O)(c1ccccc1NC(C1CC1)C1CC1)C(F)(F)F
InChIInChI=1S/C14H16F3NO2S/c15-14(16,17)21(19,20)12-4-2-1-3-11(12)18-13(9-5-6-9)10-7-8-10/h1-4,9-10,13,18H,5-8H2
InChIKeyADOMFEGTVCAMLX-UHFFFAOYSA-N
MW319.35 g/mol
LogP3.58
Rot. Bonds5

About N-(dicyclopropylmethyl)-2-(trifluoromethylsulfonyl)aniline

N-(dicyclopropylmethyl)-2-(trifluoromethylsulfonyl)aniline (PubChem CID 60754108) has the molecular formula C14H16F3NO2S and a molecular weight of 319.35 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-2-(trifluoromethylsulfonyl)aniline.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-2-(trifluoromethylsulfonyl)aniline
PubChem CID60754108
Molecular FormulaC14H16F3NO2S
Molecular Weight319.35 g/mol
Exact Mass319.09
IUPAC NameN-(dicyclopropylmethyl)-2-(trifluoromethylsulfonyl)aniline
SMILESO=S(=O)(c1ccccc1NC(C1CC1)C1CC1)C(F)(F)F
InChIInChI=1S/C14H16F3NO2S/c15-14(16,17)21(19,20)12-4-2-1-3-11(12)18-13(9-5-6-9)10-7-8-10/h1-4,9-10,13,18H,5-8H2
InChIKeyADOMFEGTVCAMLX-UHFFFAOYSA-N
XLogP3.58
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-2-(trifluoromethylsulfonyl)aniline?
The IUPAC name of N-(dicyclopropylmethyl)-2-(trifluoromethylsulfonyl)aniline (CID 60754108) is N-(dicyclopropylmethyl)-2-(trifluoromethylsulfonyl)aniline.
What is the SMILES notation for N-(dicyclopropylmethyl)-2-(trifluoromethylsulfonyl)aniline?
The canonical SMILES for N-(dicyclopropylmethyl)-2-(trifluoromethylsulfonyl)aniline is O=S(=O)(c1ccccc1NC(C1CC1)C1CC1)C(F)(F)F.
What is the InChIKey of N-(dicyclopropylmethyl)-2-(trifluoromethylsulfonyl)aniline?
The InChIKey is ADOMFEGTVCAMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO2S/c15-14(16,17)21(19,20)12-4-2-1-3-11(12)18-13(9-5-6-9)10-7-8-10/h1-4,9-10,13,18H,5-8H2.
What are the key properties of N-(dicyclopropylmethyl)-2-(trifluoromethylsulfonyl)aniline?
N-(dicyclopropylmethyl)-2-(trifluoromethylsulfonyl)aniline has a molecular weight of 319.35 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-2-(trifluoromethylsulfonyl)aniline is sourced from PubChem (CID 60754108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).