[1-(2,2-difluoroethoxymethyl)cycloheptyl]methanesulfonamide

C11H21F2NO3S — CID 82009905

IUPAC[1-(2,2-difluoroethoxymethyl)cycloheptyl]methanesulfonamide
SMILESNS(=O)(=O)CC1(COCC(F)F)CCCCCC1
InChIInChI=1S/C11H21F2NO3S/c12-10(13)7-17-8-11(9-18(14,15)16)5-3-1-2-4-6-11/h10H,1-9H2,(H2,14,15,16)
InChIKeyBZUUZOKKCQUMTB-UHFFFAOYSA-N
MW285.36 g/mol
LogP1.90
Rot. Bonds6

About [1-(2,2-difluoroethoxymethyl)cycloheptyl]methanesulfonamide

[1-(2,2-difluoroethoxymethyl)cycloheptyl]methanesulfonamide (PubChem CID 82009905) has the molecular formula C11H21F2NO3S and a molecular weight of 285.36 g/mol. Its IUPAC name is [1-(2,2-difluoroethoxymethyl)cycloheptyl]methanesulfonamide.

Molecular Properties

Compound Name[1-(2,2-difluoroethoxymethyl)cycloheptyl]methanesulfonamide
PubChem CID82009905
Molecular FormulaC11H21F2NO3S
Molecular Weight285.36 g/mol
Exact Mass285.12
IUPAC Name[1-(2,2-difluoroethoxymethyl)cycloheptyl]methanesulfonamide
SMILESNS(=O)(=O)CC1(COCC(F)F)CCCCCC1
InChIInChI=1S/C11H21F2NO3S/c12-10(13)7-17-8-11(9-18(14,15)16)5-3-1-2-4-6-11/h10H,1-9H2,(H2,14,15,16)
InChIKeyBZUUZOKKCQUMTB-UHFFFAOYSA-N
XLogP1.90
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(2,2-difluoroethoxymethyl)cycloheptyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(2,2-difluoroethoxymethyl)cycloheptyl]methanesulfonamide?
The IUPAC name of [1-(2,2-difluoroethoxymethyl)cycloheptyl]methanesulfonamide (CID 82009905) is [1-(2,2-difluoroethoxymethyl)cycloheptyl]methanesulfonamide.
What is the SMILES notation for [1-(2,2-difluoroethoxymethyl)cycloheptyl]methanesulfonamide?
The canonical SMILES for [1-(2,2-difluoroethoxymethyl)cycloheptyl]methanesulfonamide is NS(=O)(=O)CC1(COCC(F)F)CCCCCC1.
What is the InChIKey of [1-(2,2-difluoroethoxymethyl)cycloheptyl]methanesulfonamide?
The InChIKey is BZUUZOKKCQUMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO3S/c12-10(13)7-17-8-11(9-18(14,15)16)5-3-1-2-4-6-11/h10H,1-9H2,(H2,14,15,16).
What are the key properties of [1-(2,2-difluoroethoxymethyl)cycloheptyl]methanesulfonamide?
[1-(2,2-difluoroethoxymethyl)cycloheptyl]methanesulfonamide has a molecular weight of 285.36 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-difluoroethoxymethyl)cycloheptyl]methanesulfonamide is sourced from PubChem (CID 82009905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).