1-(difluoromethylsulfonylamino)cyclopentane-1-carboxylic acid

C7H11F2NO4S — CID 43163289

IUPAC1-(difluoromethylsulfonylamino)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)C(F)F)CCCC1
InChIInChI=1S/C7H11F2NO4S/c8-6(9)15(13,14)10-7(5(11)12)3-1-2-4-7/h6,10H,1-4H2,(H,11,12)
InChIKeyHNEADZJXIKBNMH-UHFFFAOYSA-N
MW243.23 g/mol
LogP0.53
Rot. Bonds4

About 1-(difluoromethylsulfonylamino)cyclopentane-1-carboxylic acid

1-(difluoromethylsulfonylamino)cyclopentane-1-carboxylic acid (PubChem CID 43163289) has the molecular formula C7H11F2NO4S and a molecular weight of 243.23 g/mol. Its IUPAC name is 1-(difluoromethylsulfonylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(difluoromethylsulfonylamino)cyclopentane-1-carboxylic acid
PubChem CID43163289
Molecular FormulaC7H11F2NO4S
Molecular Weight243.23 g/mol
Exact Mass243.04
IUPAC Name1-(difluoromethylsulfonylamino)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)C(F)F)CCCC1
InChIInChI=1S/C7H11F2NO4S/c8-6(9)15(13,14)10-7(5(11)12)3-1-2-4-7/h6,10H,1-4H2,(H,11,12)
InChIKeyHNEADZJXIKBNMH-UHFFFAOYSA-N
XLogP0.53
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylsulfonylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(difluoromethylsulfonylamino)cyclopentane-1-carboxylic acid (CID 43163289) is 1-(difluoromethylsulfonylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(difluoromethylsulfonylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(difluoromethylsulfonylamino)cyclopentane-1-carboxylic acid is O=C(O)C1(NS(=O)(=O)C(F)F)CCCC1.
What is the InChIKey of 1-(difluoromethylsulfonylamino)cyclopentane-1-carboxylic acid?
The InChIKey is HNEADZJXIKBNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO4S/c8-6(9)15(13,14)10-7(5(11)12)3-1-2-4-7/h6,10H,1-4H2,(H,11,12).
What are the key properties of 1-(difluoromethylsulfonylamino)cyclopentane-1-carboxylic acid?
1-(difluoromethylsulfonylamino)cyclopentane-1-carboxylic acid has a molecular weight of 243.23 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylsulfonylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43163289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).