[4-cyclopropylsulfonyl-2-(trifluoromethyl)phenyl]methanamine

C11H12F3NO2S — CID 46912460

IUPAC[4-cyclopropylsulfonyl-2-(trifluoromethyl)phenyl]methanamine
SMILESNCc1ccc(S(=O)(=O)C2CC2)cc1C(F)(F)F
InChIInChI=1S/C11H12F3NO2S/c12-11(13,14)10-5-9(2-1-7(10)6-15)18(16,17)8-3-4-8/h1-2,5,8H,3-4,6,15H2
InChIKeyZHRGMICWEXMLJQ-UHFFFAOYSA-N
MW279.28 g/mol
LogP2.10
Rot. Bonds3

About [4-cyclopropylsulfonyl-2-(trifluoromethyl)phenyl]methanamine

[4-cyclopropylsulfonyl-2-(trifluoromethyl)phenyl]methanamine (PubChem CID 46912460) has the molecular formula C11H12F3NO2S and a molecular weight of 279.28 g/mol. Its IUPAC name is [4-cyclopropylsulfonyl-2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-cyclopropylsulfonyl-2-(trifluoromethyl)phenyl]methanamine
PubChem CID46912460
Molecular FormulaC11H12F3NO2S
Molecular Weight279.28 g/mol
Exact Mass279.05
IUPAC Name[4-cyclopropylsulfonyl-2-(trifluoromethyl)phenyl]methanamine
SMILESNCc1ccc(S(=O)(=O)C2CC2)cc1C(F)(F)F
InChIInChI=1S/C11H12F3NO2S/c12-11(13,14)10-5-9(2-1-7(10)6-15)18(16,17)8-3-4-8/h1-2,5,8H,3-4,6,15H2
InChIKeyZHRGMICWEXMLJQ-UHFFFAOYSA-N
XLogP2.10
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-cyclopropylsulfonyl-2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [4-cyclopropylsulfonyl-2-(trifluoromethyl)phenyl]methanamine (CID 46912460) is [4-cyclopropylsulfonyl-2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [4-cyclopropylsulfonyl-2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [4-cyclopropylsulfonyl-2-(trifluoromethyl)phenyl]methanamine is NCc1ccc(S(=O)(=O)C2CC2)cc1C(F)(F)F.
What is the InChIKey of [4-cyclopropylsulfonyl-2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is ZHRGMICWEXMLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2S/c12-11(13,14)10-5-9(2-1-7(10)6-15)18(16,17)8-3-4-8/h1-2,5,8H,3-4,6,15H2.
What are the key properties of [4-cyclopropylsulfonyl-2-(trifluoromethyl)phenyl]methanamine?
[4-cyclopropylsulfonyl-2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 279.28 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclopropylsulfonyl-2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 46912460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).