2,2-difluoro-N-methylpyrrolidine-1-sulfonamide

C5H10F2N2O2S — CID 154292988

IUPAC2,2-difluoro-N-methylpyrrolidine-1-sulfonamide
SMILESCNS(=O)(=O)N1CCCC1(F)F
InChIInChI=1S/C5H10F2N2O2S/c1-8-12(10,11)9-4-2-3-5(9,6)7/h8H,2-4H2,1H3
InChIKeyWIKBNAZIUXCEFU-UHFFFAOYSA-N
MW200.21 g/mol
LogP0.14
Rot. Bonds2

About 2,2-difluoro-N-methylpyrrolidine-1-sulfonamide

2,2-difluoro-N-methylpyrrolidine-1-sulfonamide (PubChem CID 154292988) has the molecular formula C5H10F2N2O2S and a molecular weight of 200.21 g/mol. Its IUPAC name is 2,2-difluoro-N-methylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name2,2-difluoro-N-methylpyrrolidine-1-sulfonamide
PubChem CID154292988
Molecular FormulaC5H10F2N2O2S
Molecular Weight200.21 g/mol
Exact Mass200.04
IUPAC Name2,2-difluoro-N-methylpyrrolidine-1-sulfonamide
SMILESCNS(=O)(=O)N1CCCC1(F)F
InChIInChI=1S/C5H10F2N2O2S/c1-8-12(10,11)9-4-2-3-5(9,6)7/h8H,2-4H2,1H3
InChIKeyWIKBNAZIUXCEFU-UHFFFAOYSA-N
XLogP0.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-methylpyrrolidine-1-sulfonamide?
The IUPAC name of 2,2-difluoro-N-methylpyrrolidine-1-sulfonamide (CID 154292988) is 2,2-difluoro-N-methylpyrrolidine-1-sulfonamide.
What is the SMILES notation for 2,2-difluoro-N-methylpyrrolidine-1-sulfonamide?
The canonical SMILES for 2,2-difluoro-N-methylpyrrolidine-1-sulfonamide is CNS(=O)(=O)N1CCCC1(F)F.
What is the InChIKey of 2,2-difluoro-N-methylpyrrolidine-1-sulfonamide?
The InChIKey is WIKBNAZIUXCEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2N2O2S/c1-8-12(10,11)9-4-2-3-5(9,6)7/h8H,2-4H2,1H3.
What are the key properties of 2,2-difluoro-N-methylpyrrolidine-1-sulfonamide?
2,2-difluoro-N-methylpyrrolidine-1-sulfonamide has a molecular weight of 200.21 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-methylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 154292988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).