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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Related Compounds

(1R)-trans-N,N'-1,2-Cyclohexanediylbis(1,1,1-trifluoromethanesulfonamide)
CID 11090167
Platinum(II), (cyclohexane-1,2-diammine)bis(methanesulfanato-O-)-
CID 152704
N-((1S,2S)-2-methanesulfonamidocyclohexyl)methanesulfonamide
CID 56972046
N-((1S,2S)-2-aminocyclohexyl)-1,1,1-trifluoromethanesulfonamide
CID 9817239
(1S)-1alpha,2beta-Bis(trifluoromethylsulfonylamino)cyclohexane
CID 11025250
N-((1R,2R)-2-Aminocyclohexyl)-1,1,1-trifluoromethanesulfonamide
CID 69344011
N-(4,4-difluorocyclohexyl)methanesulfonamide
CID 57747898
1,1,1-trifluoro-N-[(1S,2S)-2-isothiocyanatocyclohexyl]methanesulfonamide
CID 90849134
1,1,1-trifluoro-N-(2-isothiocyanatocyclohexyl)methanesulfonamide
CID 91338706
N-[(1R,2S)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide
CID 92974044
N,N'-((1R,2R)-cyclohexane-1,2-diyl)dimethanesulfonamide
CID 11043842
Methanesulfonamide,N,N'-(1R,2R)-1,2-cyclohexanediylbis[1,1,1-trifluoro-
CID 4437229

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).