N-cyclohexyl-2-(trifluoromethylsulfonyl)aniline

C13H16F3NO2S — CID 43427565

IUPACN-cyclohexyl-2-(trifluoromethylsulfonyl)aniline
SMILESO=S(=O)(c1ccccc1NC1CCCCC1)C(F)(F)F
InChIInChI=1S/C13H16F3NO2S/c14-13(15,16)20(18,19)12-9-5-4-8-11(12)17-10-6-2-1-3-7-10/h4-5,8-10,17H,1-3,6-7H2
InChIKeyPLUWQXJVLVNFIC-UHFFFAOYSA-N
MW307.34 g/mol
LogP3.72
Rot. Bonds3

About N-cyclohexyl-2-(trifluoromethylsulfonyl)aniline

N-cyclohexyl-2-(trifluoromethylsulfonyl)aniline (PubChem CID 43427565) has the molecular formula C13H16F3NO2S and a molecular weight of 307.34 g/mol. Its IUPAC name is N-cyclohexyl-2-(trifluoromethylsulfonyl)aniline.

Molecular Properties

Compound NameN-cyclohexyl-2-(trifluoromethylsulfonyl)aniline
PubChem CID43427565
Molecular FormulaC13H16F3NO2S
Molecular Weight307.34 g/mol
Exact Mass307.09
IUPAC NameN-cyclohexyl-2-(trifluoromethylsulfonyl)aniline
SMILESO=S(=O)(c1ccccc1NC1CCCCC1)C(F)(F)F
InChIInChI=1S/C13H16F3NO2S/c14-13(15,16)20(18,19)12-9-5-4-8-11(12)17-10-6-2-1-3-7-10/h4-5,8-10,17H,1-3,6-7H2
InChIKeyPLUWQXJVLVNFIC-UHFFFAOYSA-N
XLogP3.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(trifluoromethylsulfonyl)aniline?
The IUPAC name of N-cyclohexyl-2-(trifluoromethylsulfonyl)aniline (CID 43427565) is N-cyclohexyl-2-(trifluoromethylsulfonyl)aniline.
What is the SMILES notation for N-cyclohexyl-2-(trifluoromethylsulfonyl)aniline?
The canonical SMILES for N-cyclohexyl-2-(trifluoromethylsulfonyl)aniline is O=S(=O)(c1ccccc1NC1CCCCC1)C(F)(F)F.
What is the InChIKey of N-cyclohexyl-2-(trifluoromethylsulfonyl)aniline?
The InChIKey is PLUWQXJVLVNFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2S/c14-13(15,16)20(18,19)12-9-5-4-8-11(12)17-10-6-2-1-3-7-10/h4-5,8-10,17H,1-3,6-7H2.
What are the key properties of N-cyclohexyl-2-(trifluoromethylsulfonyl)aniline?
N-cyclohexyl-2-(trifluoromethylsulfonyl)aniline has a molecular weight of 307.34 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(trifluoromethylsulfonyl)aniline is sourced from PubChem (CID 43427565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).