[2-(3,4-difluorophenyl)sulfonylcyclohexyl]methanamine

C13H17F2NO2S — CID 64696567

IUPAC[2-(3,4-difluorophenyl)sulfonylcyclohexyl]methanamine
SMILESNCC1CCCCC1S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C13H17F2NO2S/c14-11-6-5-10(7-12(11)15)19(17,18)13-4-2-1-3-9(13)8-16/h5-7,9,13H,1-4,8,16H2
InChIKeyQUOHZZVFJZRNHS-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.26
Rot. Bonds3

About [2-(3,4-difluorophenyl)sulfonylcyclohexyl]methanamine

[2-(3,4-difluorophenyl)sulfonylcyclohexyl]methanamine (PubChem CID 64696567) has the molecular formula C13H17F2NO2S and a molecular weight of 289.35 g/mol. Its IUPAC name is [2-(3,4-difluorophenyl)sulfonylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(3,4-difluorophenyl)sulfonylcyclohexyl]methanamine
PubChem CID64696567
Molecular FormulaC13H17F2NO2S
Molecular Weight289.35 g/mol
Exact Mass289.09
IUPAC Name[2-(3,4-difluorophenyl)sulfonylcyclohexyl]methanamine
SMILESNCC1CCCCC1S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C13H17F2NO2S/c14-11-6-5-10(7-12(11)15)19(17,18)13-4-2-1-3-9(13)8-16/h5-7,9,13H,1-4,8,16H2
InChIKeyQUOHZZVFJZRNHS-UHFFFAOYSA-N
XLogP2.26
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(3,4-difluorophenyl)sulfonylcyclohexyl]methanamine?
The IUPAC name of [2-(3,4-difluorophenyl)sulfonylcyclohexyl]methanamine (CID 64696567) is [2-(3,4-difluorophenyl)sulfonylcyclohexyl]methanamine.
What is the SMILES notation for [2-(3,4-difluorophenyl)sulfonylcyclohexyl]methanamine?
The canonical SMILES for [2-(3,4-difluorophenyl)sulfonylcyclohexyl]methanamine is NCC1CCCCC1S(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of [2-(3,4-difluorophenyl)sulfonylcyclohexyl]methanamine?
The InChIKey is QUOHZZVFJZRNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2S/c14-11-6-5-10(7-12(11)15)19(17,18)13-4-2-1-3-9(13)8-16/h5-7,9,13H,1-4,8,16H2.
What are the key properties of [2-(3,4-difluorophenyl)sulfonylcyclohexyl]methanamine?
[2-(3,4-difluorophenyl)sulfonylcyclohexyl]methanamine has a molecular weight of 289.35 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-difluorophenyl)sulfonylcyclohexyl]methanamine is sourced from PubChem (CID 64696567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).