N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide

C8H16F3N3O3S — CID 61254390

IUPACN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
SMILESO=S(=O)(N1CCNCC1)N(CCO)CC(F)(F)F
InChIInChI=1S/C8H16F3N3O3S/c9-8(10,11)7-14(5-6-15)18(16,17)13-3-1-12-2-4-13/h12,15H,1-7H2
InChIKeyJHUDIPQHBKLJGO-UHFFFAOYSA-N
MW291.30 g/mol
LogP-1.01
Rot. Bonds5

About N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide

N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide (PubChem CID 61254390) has the molecular formula C8H16F3N3O3S and a molecular weight of 291.30 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
PubChem CID61254390
Molecular FormulaC8H16F3N3O3S
Molecular Weight291.30 g/mol
Exact Mass291.09
IUPAC NameN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
SMILESO=S(=O)(N1CCNCC1)N(CCO)CC(F)(F)F
InChIInChI=1S/C8H16F3N3O3S/c9-8(10,11)7-14(5-6-15)18(16,17)13-3-1-12-2-4-13/h12,15H,1-7H2
InChIKeyJHUDIPQHBKLJGO-UHFFFAOYSA-N
XLogP-1.01
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide (CID 61254390) is N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide is O=S(=O)(N1CCNCC1)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
The InChIKey is JHUDIPQHBKLJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N3O3S/c9-8(10,11)7-14(5-6-15)18(16,17)13-3-1-12-2-4-13/h12,15H,1-7H2.
What are the key properties of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide has a molecular weight of 291.30 g/mol, XLogP of -1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide is sourced from PubChem (CID 61254390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).