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

C13H16F3NO2S — CID 66927536

IUPAC[4-cyclopentylsulfonyl-2-(trifluoromethyl)phenyl]methanamine
SMILESNCc1ccc(S(=O)(=O)C2CCCC2)cc1C(F)(F)F
InChIInChI=1S/C13H16F3NO2S/c14-13(15,16)12-7-11(6-5-9(12)8-17)20(18,19)10-3-1-2-4-10/h5-7,10H,1-4,8,17H2
InChIKeyWQIDVDPWWTYCAW-UHFFFAOYSA-N
MW307.34 g/mol
LogP2.88
Rot. Bonds3

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

[4-cyclopentylsulfonyl-2-(trifluoromethyl)phenyl]methanamine (PubChem CID 66927536) has the molecular formula C13H16F3NO2S and a molecular weight of 307.34 g/mol. Its IUPAC name is [4-cyclopentylsulfonyl-2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-cyclopentylsulfonyl-2-(trifluoromethyl)phenyl]methanamine
PubChem CID66927536
Molecular FormulaC13H16F3NO2S
Molecular Weight307.34 g/mol
Exact Mass307.09
IUPAC Name[4-cyclopentylsulfonyl-2-(trifluoromethyl)phenyl]methanamine
SMILESNCc1ccc(S(=O)(=O)C2CCCC2)cc1C(F)(F)F
InChIInChI=1S/C13H16F3NO2S/c14-13(15,16)12-7-11(6-5-9(12)8-17)20(18,19)10-3-1-2-4-10/h5-7,10H,1-4,8,17H2
InChIKeyWQIDVDPWWTYCAW-UHFFFAOYSA-N
XLogP2.88
TPSA60.16 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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-cyclopentylsulfonyl-2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [4-cyclopentylsulfonyl-2-(trifluoromethyl)phenyl]methanamine (CID 66927536) is [4-cyclopentylsulfonyl-2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [4-cyclopentylsulfonyl-2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [4-cyclopentylsulfonyl-2-(trifluoromethyl)phenyl]methanamine is NCc1ccc(S(=O)(=O)C2CCCC2)cc1C(F)(F)F.
What is the InChIKey of [4-cyclopentylsulfonyl-2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is WQIDVDPWWTYCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2S/c14-13(15,16)12-7-11(6-5-9(12)8-17)20(18,19)10-3-1-2-4-10/h5-7,10H,1-4,8,17H2.
What are the key properties of [4-cyclopentylsulfonyl-2-(trifluoromethyl)phenyl]methanamine?
[4-cyclopentylsulfonyl-2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 307.34 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclopentylsulfonyl-2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 66927536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).