1,1,1-trifluoro-N-[2-(methanesulfonamido)cyclohexyl]methanesulfonamide

C8H15F3N2O4S2 — CID 58173854

IUPAC1,1,1-trifluoro-N-[2-(methanesulfonamido)cyclohexyl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCCC1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H15F3N2O4S2/c1-18(14,15)12-6-4-2-3-5-7(6)13-19(16,17)8(9,10)11/h6-7,12-13H,2-5H2,1H3
InChIKeyKJOIIFQIMWRWNS-UHFFFAOYSA-N
MW324.35 g/mol
LogP0.29
Rot. Bonds4

About 1,1,1-trifluoro-N-[2-(methanesulfonamido)cyclohexyl]methanesulfonamide

1,1,1-trifluoro-N-[2-(methanesulfonamido)cyclohexyl]methanesulfonamide (PubChem CID 58173854) has the molecular formula C8H15F3N2O4S2 and a molecular weight of 324.35 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[2-(methanesulfonamido)cyclohexyl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[2-(methanesulfonamido)cyclohexyl]methanesulfonamide
PubChem CID58173854
Molecular FormulaC8H15F3N2O4S2
Molecular Weight324.35 g/mol
Exact Mass324.04
IUPAC Name1,1,1-trifluoro-N-[2-(methanesulfonamido)cyclohexyl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCCC1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H15F3N2O4S2/c1-18(14,15)12-6-4-2-3-5-7(6)13-19(16,17)8(9,10)11/h6-7,12-13H,2-5H2,1H3
InChIKeyKJOIIFQIMWRWNS-UHFFFAOYSA-N
XLogP0.29
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 50.29
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-[2-(methanesulfonamido)cyclohexyl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[2-(methanesulfonamido)cyclohexyl]methanesulfonamide (CID 58173854) is 1,1,1-trifluoro-N-[2-(methanesulfonamido)cyclohexyl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[2-(methanesulfonamido)cyclohexyl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[2-(methanesulfonamido)cyclohexyl]methanesulfonamide is CS(=O)(=O)NC1CCCCC1NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-[2-(methanesulfonamido)cyclohexyl]methanesulfonamide?
The InChIKey is KJOIIFQIMWRWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O4S2/c1-18(14,15)12-6-4-2-3-5-7(6)13-19(16,17)8(9,10)11/h6-7,12-13H,2-5H2,1H3.
What are the key properties of 1,1,1-trifluoro-N-[2-(methanesulfonamido)cyclohexyl]methanesulfonamide?
1,1,1-trifluoro-N-[2-(methanesulfonamido)cyclohexyl]methanesulfonamide has a molecular weight of 324.35 g/mol, XLogP of 0.29, 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-[2-(methanesulfonamido)cyclohexyl]methanesulfonamide is sourced from PubChem (CID 58173854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).