4-sulfamoyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

C7H13F3N4O3S — CID 47401631

IUPAC4-sulfamoyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
SMILESNS(=O)(=O)N1CCN(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C7H13F3N4O3S/c8-7(9,10)5-12-6(15)13-1-3-14(4-2-13)18(11,16)17/h1-5H2,(H,12,15)(H2,11,16,17)
InChIKeyASHMBYFQFFTBMQ-UHFFFAOYSA-N
MW290.27 g/mol
LogP-0.92
Rot. Bonds2

About 4-sulfamoyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

4-sulfamoyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide (PubChem CID 47401631) has the molecular formula C7H13F3N4O3S and a molecular weight of 290.27 g/mol. Its IUPAC name is 4-sulfamoyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-sulfamoyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
PubChem CID47401631
Molecular FormulaC7H13F3N4O3S
Molecular Weight290.27 g/mol
Exact Mass290.07
IUPAC Name4-sulfamoyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
SMILESNS(=O)(=O)N1CCN(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C7H13F3N4O3S/c8-7(9,10)5-12-6(15)13-1-3-14(4-2-13)18(11,16)17/h1-5H2,(H,12,15)(H2,11,16,17)
InChIKeyASHMBYFQFFTBMQ-UHFFFAOYSA-N
XLogP-0.92
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-sulfamoyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The IUPAC name of 4-sulfamoyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide (CID 47401631) is 4-sulfamoyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-sulfamoyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-sulfamoyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide is NS(=O)(=O)N1CCN(C(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 4-sulfamoyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The InChIKey is ASHMBYFQFFTBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N4O3S/c8-7(9,10)5-12-6(15)13-1-3-14(4-2-13)18(11,16)17/h1-5H2,(H,12,15)(H2,11,16,17).
What are the key properties of 4-sulfamoyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
4-sulfamoyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide has a molecular weight of 290.27 g/mol, XLogP of -0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-sulfamoyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide is sourced from PubChem (CID 47401631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).