1,1,1-trifluoro-N-[(1S,2R)-2-(trifluoromethylsulfonylamino)cyclohexyl]methanesulfonamide

C8H12F6N2O4S2 — CID 26974937

IUPAC1,1,1-trifluoro-N-[(1S,2R)-2-(trifluoromethylsulfonylamino)cyclohexyl]methanesulfonamide
SMILESO=S(=O)(N[C@H]1CCCC[C@H]1NS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H12F6N2O4S2/c9-7(10,11)21(17,18)15-5-3-1-2-4-6(5)16-22(19,20)8(12,13)14/h5-6,15-16H,1-4H2/t5-,6+
InChIKeyGKSGSDYYIYURPD-OLQVQODUSA-N
MW378.32 g/mol
LogP1.18
Rot. Bonds4

About 1,1,1-trifluoro-N-[(1S,2R)-2-(trifluoromethylsulfonylamino)cyclohexyl]methanesulfonamide

1,1,1-trifluoro-N-[(1S,2R)-2-(trifluoromethylsulfonylamino)cyclohexyl]methanesulfonamide (PubChem CID 26974937) has the molecular formula C8H12F6N2O4S2 and a molecular weight of 378.32 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[(1S,2R)-2-(trifluoromethylsulfonylamino)cyclohexyl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[(1S,2R)-2-(trifluoromethylsulfonylamino)cyclohexyl]methanesulfonamide
PubChem CID26974937
Molecular FormulaC8H12F6N2O4S2
Molecular Weight378.32 g/mol
Exact Mass378.01
IUPAC Name1,1,1-trifluoro-N-[(1S,2R)-2-(trifluoromethylsulfonylamino)cyclohexyl]methanesulfonamide
SMILESO=S(=O)(N[C@H]1CCCC[C@H]1NS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H12F6N2O4S2/c9-7(10,11)21(17,18)15-5-3-1-2-4-6(5)16-22(19,20)8(12,13)14/h5-6,15-16H,1-4H2/t5-,6+
InChIKeyGKSGSDYYIYURPD-OLQVQODUSA-N
XLogP1.18
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.32
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[(1S,2R)-2-(trifluoromethylsulfonylamino)cyclohexyl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[(1S,2R)-2-(trifluoromethylsulfonylamino)cyclohexyl]methanesulfonamide (CID 26974937) is 1,1,1-trifluoro-N-[(1S,2R)-2-(trifluoromethylsulfonylamino)cyclohexyl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[(1S,2R)-2-(trifluoromethylsulfonylamino)cyclohexyl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[(1S,2R)-2-(trifluoromethylsulfonylamino)cyclohexyl]methanesulfonamide is O=S(=O)(N[C@H]1CCCC[C@H]1NS(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-[(1S,2R)-2-(trifluoromethylsulfonylamino)cyclohexyl]methanesulfonamide?
The InChIKey is GKSGSDYYIYURPD-OLQVQODUSA-N. The full InChI is InChI=1S/C8H12F6N2O4S2/c9-7(10,11)21(17,18)15-5-3-1-2-4-6(5)16-22(19,20)8(12,13)14/h5-6,15-16H,1-4H2/t5-,6+.
What are the key properties of 1,1,1-trifluoro-N-[(1S,2R)-2-(trifluoromethylsulfonylamino)cyclohexyl]methanesulfonamide?
1,1,1-trifluoro-N-[(1S,2R)-2-(trifluoromethylsulfonylamino)cyclohexyl]methanesulfonamide has a molecular weight of 378.32 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[(1S,2R)-2-(trifluoromethylsulfonylamino)cyclohexyl]methanesulfonamide is sourced from PubChem (CID 26974937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).