N,N-dimethyl-4-(2,2,3,3-tetrafluoropropanoyl)piperazine-1-sulfonamide

C9H15F4N3O3S — CID 103732630

IUPACN,N-dimethyl-4-(2,2,3,3-tetrafluoropropanoyl)piperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(C(=O)C(F)(F)C(F)F)CC1
InChIInChI=1S/C9H15F4N3O3S/c1-14(2)20(18,19)16-5-3-15(4-6-16)8(17)9(12,13)7(10)11/h7H,3-6H2,1-2H3
InChIKeyLBMKLAKFNBZFCW-UHFFFAOYSA-N
MW321.30 g/mol
LogP-0.16
Rot. Bonds4

About N,N-dimethyl-4-(2,2,3,3-tetrafluoropropanoyl)piperazine-1-sulfonamide

N,N-dimethyl-4-(2,2,3,3-tetrafluoropropanoyl)piperazine-1-sulfonamide (PubChem CID 103732630) has the molecular formula C9H15F4N3O3S and a molecular weight of 321.30 g/mol. Its IUPAC name is N,N-dimethyl-4-(2,2,3,3-tetrafluoropropanoyl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(2,2,3,3-tetrafluoropropanoyl)piperazine-1-sulfonamide
PubChem CID103732630
Molecular FormulaC9H15F4N3O3S
Molecular Weight321.30 g/mol
Exact Mass321.08
IUPAC NameN,N-dimethyl-4-(2,2,3,3-tetrafluoropropanoyl)piperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(C(=O)C(F)(F)C(F)F)CC1
InChIInChI=1S/C9H15F4N3O3S/c1-14(2)20(18,19)16-5-3-15(4-6-16)8(17)9(12,13)7(10)11/h7H,3-6H2,1-2H3
InChIKeyLBMKLAKFNBZFCW-UHFFFAOYSA-N
XLogP-0.16
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(2,2,3,3-tetrafluoropropanoyl)piperazine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-4-(2,2,3,3-tetrafluoropropanoyl)piperazine-1-sulfonamide (CID 103732630) is N,N-dimethyl-4-(2,2,3,3-tetrafluoropropanoyl)piperazine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-4-(2,2,3,3-tetrafluoropropanoyl)piperazine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-4-(2,2,3,3-tetrafluoropropanoyl)piperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CCN(C(=O)C(F)(F)C(F)F)CC1.
What is the InChIKey of N,N-dimethyl-4-(2,2,3,3-tetrafluoropropanoyl)piperazine-1-sulfonamide?
The InChIKey is LBMKLAKFNBZFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F4N3O3S/c1-14(2)20(18,19)16-5-3-15(4-6-16)8(17)9(12,13)7(10)11/h7H,3-6H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(2,2,3,3-tetrafluoropropanoyl)piperazine-1-sulfonamide?
N,N-dimethyl-4-(2,2,3,3-tetrafluoropropanoyl)piperazine-1-sulfonamide has a molecular weight of 321.30 g/mol, XLogP of -0.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(2,2,3,3-tetrafluoropropanoyl)piperazine-1-sulfonamide is sourced from PubChem (CID 103732630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).