N-(1-cyanocycloheptyl)-1,1-difluoromethanesulfonamide

C9H14F2N2O2S — CID 55138531

IUPACN-(1-cyanocycloheptyl)-1,1-difluoromethanesulfonamide
SMILESN#CC1(NS(=O)(=O)C(F)F)CCCCCC1
InChIInChI=1S/C9H14F2N2O2S/c10-8(11)16(14,15)13-9(7-12)5-3-1-2-4-6-9/h8,13H,1-6H2
InChIKeyRUEAVPXTSLQRRH-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.74
Rot. Bonds3

About N-(1-cyanocycloheptyl)-1,1-difluoromethanesulfonamide

N-(1-cyanocycloheptyl)-1,1-difluoromethanesulfonamide (PubChem CID 55138531) has the molecular formula C9H14F2N2O2S and a molecular weight of 252.29 g/mol. Its IUPAC name is N-(1-cyanocycloheptyl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(1-cyanocycloheptyl)-1,1-difluoromethanesulfonamide
PubChem CID55138531
Molecular FormulaC9H14F2N2O2S
Molecular Weight252.29 g/mol
Exact Mass252.07
IUPAC NameN-(1-cyanocycloheptyl)-1,1-difluoromethanesulfonamide
SMILESN#CC1(NS(=O)(=O)C(F)F)CCCCCC1
InChIInChI=1S/C9H14F2N2O2S/c10-8(11)16(14,15)13-9(7-12)5-3-1-2-4-6-9/h8,13H,1-6H2
InChIKeyRUEAVPXTSLQRRH-UHFFFAOYSA-N
XLogP1.74
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocycloheptyl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(1-cyanocycloheptyl)-1,1-difluoromethanesulfonamide (CID 55138531) is N-(1-cyanocycloheptyl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(1-cyanocycloheptyl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(1-cyanocycloheptyl)-1,1-difluoromethanesulfonamide is N#CC1(NS(=O)(=O)C(F)F)CCCCCC1.
What is the InChIKey of N-(1-cyanocycloheptyl)-1,1-difluoromethanesulfonamide?
The InChIKey is RUEAVPXTSLQRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O2S/c10-8(11)16(14,15)13-9(7-12)5-3-1-2-4-6-9/h8,13H,1-6H2.
What are the key properties of N-(1-cyanocycloheptyl)-1,1-difluoromethanesulfonamide?
N-(1-cyanocycloheptyl)-1,1-difluoromethanesulfonamide has a molecular weight of 252.29 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocycloheptyl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 55138531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).