N-ethyl-1,1-difluoro-N-pyrrolidin-3-ylmethanesulfonamide

C7H14F2N2O2S — CID 60805312

IUPACN-ethyl-1,1-difluoro-N-pyrrolidin-3-ylmethanesulfonamide
SMILESCCN(C1CCNC1)S(=O)(=O)C(F)F
InChIInChI=1S/C7H14F2N2O2S/c1-2-11(6-3-4-10-5-6)14(12,13)7(8)9/h6-7,10H,2-5H2,1H3
InChIKeyYZYJTIGFZQBJQL-UHFFFAOYSA-N
MW228.26 g/mol
LogP0.22
Rot. Bonds4

About N-ethyl-1,1-difluoro-N-pyrrolidin-3-ylmethanesulfonamide

N-ethyl-1,1-difluoro-N-pyrrolidin-3-ylmethanesulfonamide (PubChem CID 60805312) has the molecular formula C7H14F2N2O2S and a molecular weight of 228.26 g/mol. Its IUPAC name is N-ethyl-1,1-difluoro-N-pyrrolidin-3-ylmethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-1,1-difluoro-N-pyrrolidin-3-ylmethanesulfonamide
PubChem CID60805312
Molecular FormulaC7H14F2N2O2S
Molecular Weight228.26 g/mol
Exact Mass228.07
IUPAC NameN-ethyl-1,1-difluoro-N-pyrrolidin-3-ylmethanesulfonamide
SMILESCCN(C1CCNC1)S(=O)(=O)C(F)F
InChIInChI=1S/C7H14F2N2O2S/c1-2-11(6-3-4-10-5-6)14(12,13)7(8)9/h6-7,10H,2-5H2,1H3
InChIKeyYZYJTIGFZQBJQL-UHFFFAOYSA-N
XLogP0.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1-difluoro-N-pyrrolidin-3-ylmethanesulfonamide?
The IUPAC name of N-ethyl-1,1-difluoro-N-pyrrolidin-3-ylmethanesulfonamide (CID 60805312) is N-ethyl-1,1-difluoro-N-pyrrolidin-3-ylmethanesulfonamide.
What is the SMILES notation for N-ethyl-1,1-difluoro-N-pyrrolidin-3-ylmethanesulfonamide?
The canonical SMILES for N-ethyl-1,1-difluoro-N-pyrrolidin-3-ylmethanesulfonamide is CCN(C1CCNC1)S(=O)(=O)C(F)F.
What is the InChIKey of N-ethyl-1,1-difluoro-N-pyrrolidin-3-ylmethanesulfonamide?
The InChIKey is YZYJTIGFZQBJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2O2S/c1-2-11(6-3-4-10-5-6)14(12,13)7(8)9/h6-7,10H,2-5H2,1H3.
What are the key properties of N-ethyl-1,1-difluoro-N-pyrrolidin-3-ylmethanesulfonamide?
N-ethyl-1,1-difluoro-N-pyrrolidin-3-ylmethanesulfonamide has a molecular weight of 228.26 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1-difluoro-N-pyrrolidin-3-ylmethanesulfonamide is sourced from PubChem (CID 60805312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).