4-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperazine-1-sulfonamide

C10H17F3N4O3S — CID 63710229

IUPAC4-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(C(=O)C2(C(F)(F)F)CCNC2)CC1
InChIInChI=1S/C10H17F3N4O3S/c11-10(12,13)9(1-2-15-7-9)8(18)16-3-5-17(6-4-16)21(14,19)20/h15H,1-7H2,(H2,14,19,20)
InChIKeyHFZPNWPIDDGELD-UHFFFAOYSA-N
MW330.33 g/mol
LogP-1.12
Rot. Bonds2

About 4-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperazine-1-sulfonamide

4-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperazine-1-sulfonamide (PubChem CID 63710229) has the molecular formula C10H17F3N4O3S and a molecular weight of 330.33 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperazine-1-sulfonamide
PubChem CID63710229
Molecular FormulaC10H17F3N4O3S
Molecular Weight330.33 g/mol
Exact Mass330.10
IUPAC Name4-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(C(=O)C2(C(F)(F)F)CCNC2)CC1
InChIInChI=1S/C10H17F3N4O3S/c11-10(12,13)9(1-2-15-7-9)8(18)16-3-5-17(6-4-16)21(14,19)20/h15H,1-7H2,(H2,14,19,20)
InChIKeyHFZPNWPIDDGELD-UHFFFAOYSA-N
XLogP-1.12
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperazine-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperazine-1-sulfonamide?
The IUPAC name of 4-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperazine-1-sulfonamide (CID 63710229) is 4-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperazine-1-sulfonamide.
What is the SMILES notation for 4-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperazine-1-sulfonamide?
The canonical SMILES for 4-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperazine-1-sulfonamide is NS(=O)(=O)N1CCN(C(=O)C2(C(F)(F)F)CCNC2)CC1.
What is the InChIKey of 4-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperazine-1-sulfonamide?
The InChIKey is HFZPNWPIDDGELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N4O3S/c11-10(12,13)9(1-2-15-7-9)8(18)16-3-5-17(6-4-16)21(14,19)20/h15H,1-7H2,(H2,14,19,20).
What are the key properties of 4-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperazine-1-sulfonamide?
4-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperazine-1-sulfonamide has a molecular weight of 330.33 g/mol, XLogP of -1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperazine-1-sulfonamide is sourced from PubChem (CID 63710229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).