2-(2,5-difluorophenyl)sulfonyl-4-ethylcyclohexan-1-amine

C14H19F2NO2S — CID 64645336

IUPAC2-(2,5-difluorophenyl)sulfonyl-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(N)C(S(=O)(=O)c2cc(F)ccc2F)C1
InChIInChI=1S/C14H19F2NO2S/c1-2-9-3-6-12(17)14(7-9)20(18,19)13-8-10(15)4-5-11(13)16/h4-5,8-9,12,14H,2-3,6-7,17H2,1H3
InChIKeyRPGMGHXLTRYPJJ-UHFFFAOYSA-N
MW303.37 g/mol
LogP2.64
Rot. Bonds3

About 2-(2,5-difluorophenyl)sulfonyl-4-ethylcyclohexan-1-amine

2-(2,5-difluorophenyl)sulfonyl-4-ethylcyclohexan-1-amine (PubChem CID 64645336) has the molecular formula C14H19F2NO2S and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)sulfonyl-4-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)sulfonyl-4-ethylcyclohexan-1-amine
PubChem CID64645336
Molecular FormulaC14H19F2NO2S
Molecular Weight303.37 g/mol
Exact Mass303.11
IUPAC Name2-(2,5-difluorophenyl)sulfonyl-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(N)C(S(=O)(=O)c2cc(F)ccc2F)C1
InChIInChI=1S/C14H19F2NO2S/c1-2-9-3-6-12(17)14(7-9)20(18,19)13-8-10(15)4-5-11(13)16/h4-5,8-9,12,14H,2-3,6-7,17H2,1H3
InChIKeyRPGMGHXLTRYPJJ-UHFFFAOYSA-N
XLogP2.64
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)sulfonyl-4-ethylcyclohexan-1-amine?
The IUPAC name of 2-(2,5-difluorophenyl)sulfonyl-4-ethylcyclohexan-1-amine (CID 64645336) is 2-(2,5-difluorophenyl)sulfonyl-4-ethylcyclohexan-1-amine.
What is the SMILES notation for 2-(2,5-difluorophenyl)sulfonyl-4-ethylcyclohexan-1-amine?
The canonical SMILES for 2-(2,5-difluorophenyl)sulfonyl-4-ethylcyclohexan-1-amine is CCC1CCC(N)C(S(=O)(=O)c2cc(F)ccc2F)C1.
What is the InChIKey of 2-(2,5-difluorophenyl)sulfonyl-4-ethylcyclohexan-1-amine?
The InChIKey is RPGMGHXLTRYPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2S/c1-2-9-3-6-12(17)14(7-9)20(18,19)13-8-10(15)4-5-11(13)16/h4-5,8-9,12,14H,2-3,6-7,17H2,1H3.
What are the key properties of 2-(2,5-difluorophenyl)sulfonyl-4-ethylcyclohexan-1-amine?
2-(2,5-difluorophenyl)sulfonyl-4-ethylcyclohexan-1-amine has a molecular weight of 303.37 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)sulfonyl-4-ethylcyclohexan-1-amine is sourced from PubChem (CID 64645336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).