1,1-difluoro-N-[4-(methylamino)cyclohexyl]methanesulfonamide

C8H16F2N2O2S — CID 43653509

IUPAC1,1-difluoro-N-[4-(methylamino)cyclohexyl]methanesulfonamide
SMILESCNC1CCC(NS(=O)(=O)C(F)F)CC1
InChIInChI=1S/C8H16F2N2O2S/c1-11-6-2-4-7(5-3-6)12-15(13,14)8(9)10/h6-8,11-12H,2-5H2,1H3
InChIKeySHAHXZFYSCGXIE-UHFFFAOYSA-N
MW242.29 g/mol
LogP0.66
Rot. Bonds4

About 1,1-difluoro-N-[4-(methylamino)cyclohexyl]methanesulfonamide

1,1-difluoro-N-[4-(methylamino)cyclohexyl]methanesulfonamide (PubChem CID 43653509) has the molecular formula C8H16F2N2O2S and a molecular weight of 242.29 g/mol. Its IUPAC name is 1,1-difluoro-N-[4-(methylamino)cyclohexyl]methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-[4-(methylamino)cyclohexyl]methanesulfonamide
PubChem CID43653509
Molecular FormulaC8H16F2N2O2S
Molecular Weight242.29 g/mol
Exact Mass242.09
IUPAC Name1,1-difluoro-N-[4-(methylamino)cyclohexyl]methanesulfonamide
SMILESCNC1CCC(NS(=O)(=O)C(F)F)CC1
InChIInChI=1S/C8H16F2N2O2S/c1-11-6-2-4-7(5-3-6)12-15(13,14)8(9)10/h6-8,11-12H,2-5H2,1H3
InChIKeySHAHXZFYSCGXIE-UHFFFAOYSA-N
XLogP0.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-[4-(methylamino)cyclohexyl]methanesulfonamide?
The IUPAC name of 1,1-difluoro-N-[4-(methylamino)cyclohexyl]methanesulfonamide (CID 43653509) is 1,1-difluoro-N-[4-(methylamino)cyclohexyl]methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-[4-(methylamino)cyclohexyl]methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-[4-(methylamino)cyclohexyl]methanesulfonamide is CNC1CCC(NS(=O)(=O)C(F)F)CC1.
What is the InChIKey of 1,1-difluoro-N-[4-(methylamino)cyclohexyl]methanesulfonamide?
The InChIKey is SHAHXZFYSCGXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O2S/c1-11-6-2-4-7(5-3-6)12-15(13,14)8(9)10/h6-8,11-12H,2-5H2,1H3.
What are the key properties of 1,1-difluoro-N-[4-(methylamino)cyclohexyl]methanesulfonamide?
1,1-difluoro-N-[4-(methylamino)cyclohexyl]methanesulfonamide has a molecular weight of 242.29 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-[4-(methylamino)cyclohexyl]methanesulfonamide is sourced from PubChem (CID 43653509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).