4-(2,2,2-trifluoroethylsulfamoylamino)cyclohexan-1-one

C8H13F3N2O3S — CID 114808708

IUPAC4-(2,2,2-trifluoroethylsulfamoylamino)cyclohexan-1-one
SMILESO=C1CCC(NS(=O)(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C8H13F3N2O3S/c9-8(10,11)5-12-17(15,16)13-6-1-3-7(14)4-2-6/h6,12-13H,1-5H2
InChIKeyODHBOPJVKHBCSA-UHFFFAOYSA-N
MW274.26 g/mol
LogP0.48
Rot. Bonds4

About 4-(2,2,2-trifluoroethylsulfamoylamino)cyclohexan-1-one

4-(2,2,2-trifluoroethylsulfamoylamino)cyclohexan-1-one (PubChem CID 114808708) has the molecular formula C8H13F3N2O3S and a molecular weight of 274.26 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethylsulfamoylamino)cyclohexan-1-one.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethylsulfamoylamino)cyclohexan-1-one
PubChem CID114808708
Molecular FormulaC8H13F3N2O3S
Molecular Weight274.26 g/mol
Exact Mass274.06
IUPAC Name4-(2,2,2-trifluoroethylsulfamoylamino)cyclohexan-1-one
SMILESO=C1CCC(NS(=O)(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C8H13F3N2O3S/c9-8(10,11)5-12-17(15,16)13-6-1-3-7(14)4-2-6/h6,12-13H,1-5H2
InChIKeyODHBOPJVKHBCSA-UHFFFAOYSA-N
XLogP0.48
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethylsulfamoylamino)cyclohexan-1-one?
The IUPAC name of 4-(2,2,2-trifluoroethylsulfamoylamino)cyclohexan-1-one (CID 114808708) is 4-(2,2,2-trifluoroethylsulfamoylamino)cyclohexan-1-one.
What is the SMILES notation for 4-(2,2,2-trifluoroethylsulfamoylamino)cyclohexan-1-one?
The canonical SMILES for 4-(2,2,2-trifluoroethylsulfamoylamino)cyclohexan-1-one is O=C1CCC(NS(=O)(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 4-(2,2,2-trifluoroethylsulfamoylamino)cyclohexan-1-one?
The InChIKey is ODHBOPJVKHBCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O3S/c9-8(10,11)5-12-17(15,16)13-6-1-3-7(14)4-2-6/h6,12-13H,1-5H2.
What are the key properties of 4-(2,2,2-trifluoroethylsulfamoylamino)cyclohexan-1-one?
4-(2,2,2-trifluoroethylsulfamoylamino)cyclohexan-1-one has a molecular weight of 274.26 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethylsulfamoylamino)cyclohexan-1-one is sourced from PubChem (CID 114808708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).