methyl 2-(2,2-difluoroethylsulfamoyl)cyclopentane-1-carboxylate

C9H15F2NO4S — CID 103343291

IUPACmethyl 2-(2,2-difluoroethylsulfamoyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)NCC(F)F
InChIInChI=1S/C9H15F2NO4S/c1-16-9(13)6-3-2-4-7(6)17(14,15)12-5-8(10)11/h6-8,12H,2-5H2,1H3
InChIKeyYNUXNALNIIYGMT-UHFFFAOYSA-N
MW271.28 g/mol
LogP0.51
Rot. Bonds5

About methyl 2-(2,2-difluoroethylsulfamoyl)cyclopentane-1-carboxylate

methyl 2-(2,2-difluoroethylsulfamoyl)cyclopentane-1-carboxylate (PubChem CID 103343291) has the molecular formula C9H15F2NO4S and a molecular weight of 271.28 g/mol. Its IUPAC name is methyl 2-(2,2-difluoroethylsulfamoyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2,2-difluoroethylsulfamoyl)cyclopentane-1-carboxylate
PubChem CID103343291
Molecular FormulaC9H15F2NO4S
Molecular Weight271.28 g/mol
Exact Mass271.07
IUPAC Namemethyl 2-(2,2-difluoroethylsulfamoyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)NCC(F)F
InChIInChI=1S/C9H15F2NO4S/c1-16-9(13)6-3-2-4-7(6)17(14,15)12-5-8(10)11/h6-8,12H,2-5H2,1H3
InChIKeyYNUXNALNIIYGMT-UHFFFAOYSA-N
XLogP0.51
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-(2,2-difluoroethylsulfamoyl)cyclopentane-1-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

2-(Trifluoromethylsulfonylamino)ethyl cyclopentanecarboxylate
CID 67978683
Methyl 2-(2,2,2-trifluoroethylsulfamoyl)cyclopentane-1-carboxylate
CID 103342260
Methyl 2-[methyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342540
Methyl 2-[propyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342605
Methyl 2-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342622
Methyl 2-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342839
Methyl 2-(3,3,3-trifluoropropylsulfamoyl)cyclopentane-1-carboxylate
CID 103342984
Methyl 2-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]cyclopentane-1-carboxylate
CID 103343039
Methyl 2-[methyl(3,3,3-trifluoropropyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103343141
Methyl 2-(4,4,4-trifluorobutylsulfamoyl)cyclopentane-1-carboxylate
CID 103343292
Methyl 2-(5,5,5-trifluoropentylsulfamoyl)cyclopentane-1-carboxylate
CID 103343293
Methyl 2-(2,2,2-trifluoroethoxysulfamoyl)cyclopentane-1-carboxylate
CID 103343322

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,2-difluoroethylsulfamoyl)cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-(2,2-difluoroethylsulfamoyl)cyclopentane-1-carboxylate (CID 103343291) is methyl 2-(2,2-difluoroethylsulfamoyl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-(2,2-difluoroethylsulfamoyl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-(2,2-difluoroethylsulfamoyl)cyclopentane-1-carboxylate is COC(=O)C1CCCC1S(=O)(=O)NCC(F)F.
What is the InChIKey of methyl 2-(2,2-difluoroethylsulfamoyl)cyclopentane-1-carboxylate?
The InChIKey is YNUXNALNIIYGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO4S/c1-16-9(13)6-3-2-4-7(6)17(14,15)12-5-8(10)11/h6-8,12H,2-5H2,1H3.
What are the key properties of methyl 2-(2,2-difluoroethylsulfamoyl)cyclopentane-1-carboxylate?
methyl 2-(2,2-difluoroethylsulfamoyl)cyclopentane-1-carboxylate has a molecular weight of 271.28 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,2-difluoroethylsulfamoyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 103343291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).