3-(difluoromethylsulfonylamino)cyclopentane-1-carboxylic acid

C7H11F2NO4S — CID 66032747

IUPAC3-(difluoromethylsulfonylamino)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(NS(=O)(=O)C(F)F)C1
InChIInChI=1S/C7H11F2NO4S/c8-7(9)15(13,14)10-5-2-1-4(3-5)6(11)12/h4-5,7,10H,1-3H2,(H,11,12)
InChIKeyDSWPACHZLZAHNA-UHFFFAOYSA-N
MW243.23 g/mol
LogP0.38
Rot. Bonds4

About 3-(difluoromethylsulfonylamino)cyclopentane-1-carboxylic acid

3-(difluoromethylsulfonylamino)cyclopentane-1-carboxylic acid (PubChem CID 66032747) has the molecular formula C7H11F2NO4S and a molecular weight of 243.23 g/mol. Its IUPAC name is 3-(difluoromethylsulfonylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(difluoromethylsulfonylamino)cyclopentane-1-carboxylic acid
PubChem CID66032747
Molecular FormulaC7H11F2NO4S
Molecular Weight243.23 g/mol
Exact Mass243.04
IUPAC Name3-(difluoromethylsulfonylamino)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(NS(=O)(=O)C(F)F)C1
InChIInChI=1S/C7H11F2NO4S/c8-7(9)15(13,14)10-5-2-1-4(3-5)6(11)12/h4-5,7,10H,1-3H2,(H,11,12)
InChIKeyDSWPACHZLZAHNA-UHFFFAOYSA-N
XLogP0.38
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 ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethylsulfonylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(difluoromethylsulfonylamino)cyclopentane-1-carboxylic acid (CID 66032747) is 3-(difluoromethylsulfonylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(difluoromethylsulfonylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(difluoromethylsulfonylamino)cyclopentane-1-carboxylic acid is O=C(O)C1CCC(NS(=O)(=O)C(F)F)C1.
What is the InChIKey of 3-(difluoromethylsulfonylamino)cyclopentane-1-carboxylic acid?
The InChIKey is DSWPACHZLZAHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO4S/c8-7(9)15(13,14)10-5-2-1-4(3-5)6(11)12/h4-5,7,10H,1-3H2,(H,11,12).
What are the key properties of 3-(difluoromethylsulfonylamino)cyclopentane-1-carboxylic acid?
3-(difluoromethylsulfonylamino)cyclopentane-1-carboxylic acid has a molecular weight of 243.23 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylsulfonylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66032747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).