4-(2-fluoroethyl)piperazine-1-sulfonamide

C6H14FN3O2S — CID 131036048

IUPAC4-(2-fluoroethyl)piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(CCF)CC1
InChIInChI=1S/C6H14FN3O2S/c7-1-2-9-3-5-10(6-4-9)13(8,11)12/h1-6H2,(H2,8,11,12)
InChIKeySGQPAQNJHSUDDV-UHFFFAOYSA-N
MW211.26 g/mol
LogP-1.22
Rot. Bonds3

About 4-(2-fluoroethyl)piperazine-1-sulfonamide

4-(2-fluoroethyl)piperazine-1-sulfonamide (PubChem CID 131036048) has the molecular formula C6H14FN3O2S and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-(2-fluoroethyl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(2-fluoroethyl)piperazine-1-sulfonamide
PubChem CID131036048
Molecular FormulaC6H14FN3O2S
Molecular Weight211.26 g/mol
Exact Mass211.08
IUPAC Name4-(2-fluoroethyl)piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(CCF)CC1
InChIInChI=1S/C6H14FN3O2S/c7-1-2-9-3-5-10(6-4-9)13(8,11)12/h1-6H2,(H2,8,11,12)
InChIKeySGQPAQNJHSUDDV-UHFFFAOYSA-N
XLogP-1.22
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-1.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethyl)piperazine-1-sulfonamide?
The IUPAC name of 4-(2-fluoroethyl)piperazine-1-sulfonamide (CID 131036048) is 4-(2-fluoroethyl)piperazine-1-sulfonamide.
What is the SMILES notation for 4-(2-fluoroethyl)piperazine-1-sulfonamide?
The canonical SMILES for 4-(2-fluoroethyl)piperazine-1-sulfonamide is NS(=O)(=O)N1CCN(CCF)CC1.
What is the InChIKey of 4-(2-fluoroethyl)piperazine-1-sulfonamide?
The InChIKey is SGQPAQNJHSUDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FN3O2S/c7-1-2-9-3-5-10(6-4-9)13(8,11)12/h1-6H2,(H2,8,11,12).
What are the key properties of 4-(2-fluoroethyl)piperazine-1-sulfonamide?
4-(2-fluoroethyl)piperazine-1-sulfonamide has a molecular weight of 211.26 g/mol, XLogP of -1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethyl)piperazine-1-sulfonamide is sourced from PubChem (CID 131036048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).