4-(3,3,3-trifluoropropanoyl)piperazine-1-sulfonamide

C7H12F3N3O3S — CID 61128991

IUPAC4-(3,3,3-trifluoropropanoyl)piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(C(=O)CC(F)(F)F)CC1
InChIInChI=1S/C7H12F3N3O3S/c8-7(9,10)5-6(14)12-1-3-13(4-2-12)17(11,15)16/h1-5H2,(H2,11,15,16)
InChIKeyLUIYUXDQUKZQER-UHFFFAOYSA-N
MW275.25 g/mol
LogP-0.71
Rot. Bonds2

About 4-(3,3,3-trifluoropropanoyl)piperazine-1-sulfonamide

4-(3,3,3-trifluoropropanoyl)piperazine-1-sulfonamide (PubChem CID 61128991) has the molecular formula C7H12F3N3O3S and a molecular weight of 275.25 g/mol. Its IUPAC name is 4-(3,3,3-trifluoropropanoyl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(3,3,3-trifluoropropanoyl)piperazine-1-sulfonamide
PubChem CID61128991
Molecular FormulaC7H12F3N3O3S
Molecular Weight275.25 g/mol
Exact Mass275.06
IUPAC Name4-(3,3,3-trifluoropropanoyl)piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(C(=O)CC(F)(F)F)CC1
InChIInChI=1S/C7H12F3N3O3S/c8-7(9,10)5-6(14)12-1-3-13(4-2-12)17(11,15)16/h1-5H2,(H2,11,15,16)
InChIKeyLUIYUXDQUKZQER-UHFFFAOYSA-N
XLogP-0.71
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3,3-trifluoropropanoyl)piperazine-1-sulfonamide?
The IUPAC name of 4-(3,3,3-trifluoropropanoyl)piperazine-1-sulfonamide (CID 61128991) is 4-(3,3,3-trifluoropropanoyl)piperazine-1-sulfonamide.
What is the SMILES notation for 4-(3,3,3-trifluoropropanoyl)piperazine-1-sulfonamide?
The canonical SMILES for 4-(3,3,3-trifluoropropanoyl)piperazine-1-sulfonamide is NS(=O)(=O)N1CCN(C(=O)CC(F)(F)F)CC1.
What is the InChIKey of 4-(3,3,3-trifluoropropanoyl)piperazine-1-sulfonamide?
The InChIKey is LUIYUXDQUKZQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N3O3S/c8-7(9,10)5-6(14)12-1-3-13(4-2-12)17(11,15)16/h1-5H2,(H2,11,15,16).
What are the key properties of 4-(3,3,3-trifluoropropanoyl)piperazine-1-sulfonamide?
4-(3,3,3-trifluoropropanoyl)piperazine-1-sulfonamide has a molecular weight of 275.25 g/mol, XLogP of -0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3,3-trifluoropropanoyl)piperazine-1-sulfonamide is sourced from PubChem (CID 61128991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).