N-[2-(difluoromethylsulfonylamino)ethyl]cyclopropanecarboxamide

C7H12F2N2O3S — CID 115602490

IUPACN-[2-(difluoromethylsulfonylamino)ethyl]cyclopropanecarboxamide
SMILESO=C(NCCNS(=O)(=O)C(F)F)C1CC1
InChIInChI=1S/C7H12F2N2O3S/c8-7(9)15(13,14)11-4-3-10-6(12)5-1-2-5/h5,7,11H,1-4H2,(H,10,12)
InChIKeyRSECWOZIYVEQDX-UHFFFAOYSA-N
MW242.25 g/mol
LogP-0.35
Rot. Bonds6

About N-[2-(difluoromethylsulfonylamino)ethyl]cyclopropanecarboxamide

N-[2-(difluoromethylsulfonylamino)ethyl]cyclopropanecarboxamide (PubChem CID 115602490) has the molecular formula C7H12F2N2O3S and a molecular weight of 242.25 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfonylamino)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfonylamino)ethyl]cyclopropanecarboxamide
PubChem CID115602490
Molecular FormulaC7H12F2N2O3S
Molecular Weight242.25 g/mol
Exact Mass242.05
IUPAC NameN-[2-(difluoromethylsulfonylamino)ethyl]cyclopropanecarboxamide
SMILESO=C(NCCNS(=O)(=O)C(F)F)C1CC1
InChIInChI=1S/C7H12F2N2O3S/c8-7(9)15(13,14)11-4-3-10-6(12)5-1-2-5/h5,7,11H,1-4H2,(H,10,12)
InChIKeyRSECWOZIYVEQDX-UHFFFAOYSA-N
XLogP-0.35
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethylsulfonylamino)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(difluoromethylsulfonylamino)ethyl]cyclopropanecarboxamide (CID 115602490) is N-[2-(difluoromethylsulfonylamino)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(difluoromethylsulfonylamino)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(difluoromethylsulfonylamino)ethyl]cyclopropanecarboxamide is O=C(NCCNS(=O)(=O)C(F)F)C1CC1.
What is the InChIKey of N-[2-(difluoromethylsulfonylamino)ethyl]cyclopropanecarboxamide?
The InChIKey is RSECWOZIYVEQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2O3S/c8-7(9)15(13,14)11-4-3-10-6(12)5-1-2-5/h5,7,11H,1-4H2,(H,10,12).
What are the key properties of N-[2-(difluoromethylsulfonylamino)ethyl]cyclopropanecarboxamide?
N-[2-(difluoromethylsulfonylamino)ethyl]cyclopropanecarboxamide has a molecular weight of 242.25 g/mol, XLogP of -0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethylsulfonylamino)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 115602490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).