1,1-difluoro-N-(2-piperazin-1-ylethyl)methanesulfonamide

C7H15F2N3O2S — CID 43599765

IUPAC1,1-difluoro-N-(2-piperazin-1-ylethyl)methanesulfonamide
SMILESO=S(=O)(NCCN1CCNCC1)C(F)F
InChIInChI=1S/C7H15F2N3O2S/c8-7(9)15(13,14)11-3-6-12-4-1-10-2-5-12/h7,10-11H,1-6H2
InChIKeyQRRUVYAZQWPLNU-UHFFFAOYSA-N
MW243.28 g/mol
LogP-0.97
Rot. Bonds5

About 1,1-difluoro-N-(2-piperazin-1-ylethyl)methanesulfonamide

1,1-difluoro-N-(2-piperazin-1-ylethyl)methanesulfonamide (PubChem CID 43599765) has the molecular formula C7H15F2N3O2S and a molecular weight of 243.28 g/mol. Its IUPAC name is 1,1-difluoro-N-(2-piperazin-1-ylethyl)methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-(2-piperazin-1-ylethyl)methanesulfonamide
PubChem CID43599765
Molecular FormulaC7H15F2N3O2S
Molecular Weight243.28 g/mol
Exact Mass243.09
IUPAC Name1,1-difluoro-N-(2-piperazin-1-ylethyl)methanesulfonamide
SMILESO=S(=O)(NCCN1CCNCC1)C(F)F
InChIInChI=1S/C7H15F2N3O2S/c8-7(9)15(13,14)11-3-6-12-4-1-10-2-5-12/h7,10-11H,1-6H2
InChIKeyQRRUVYAZQWPLNU-UHFFFAOYSA-N
XLogP-0.97
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-(2-piperazin-1-ylethyl)methanesulfonamide?
The IUPAC name of 1,1-difluoro-N-(2-piperazin-1-ylethyl)methanesulfonamide (CID 43599765) is 1,1-difluoro-N-(2-piperazin-1-ylethyl)methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-(2-piperazin-1-ylethyl)methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-(2-piperazin-1-ylethyl)methanesulfonamide is O=S(=O)(NCCN1CCNCC1)C(F)F.
What is the InChIKey of 1,1-difluoro-N-(2-piperazin-1-ylethyl)methanesulfonamide?
The InChIKey is QRRUVYAZQWPLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2N3O2S/c8-7(9)15(13,14)11-3-6-12-4-1-10-2-5-12/h7,10-11H,1-6H2.
What are the key properties of 1,1-difluoro-N-(2-piperazin-1-ylethyl)methanesulfonamide?
1,1-difluoro-N-(2-piperazin-1-ylethyl)methanesulfonamide has a molecular weight of 243.28 g/mol, XLogP of -0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-(2-piperazin-1-ylethyl)methanesulfonamide is sourced from PubChem (CID 43599765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).