2-(ethylsulfonylamino)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)ethanesulfonamide

C11H23F3N4O4S2 — CID 120778692

IUPAC2-(ethylsulfonylamino)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCCS(=O)(=O)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C11H23F3N4O4S2/c1-2-23(19,20)16-5-8-24(21,22)17-9-10(11(12,13)14)18-6-3-15-4-7-18/h10,15-17H,2-9H2,1H3
InChIKeyYENHFMOAXKXDPU-UHFFFAOYSA-N
MW396.46 g/mol
LogP-1.32
Rot. Bonds9

About 2-(ethylsulfonylamino)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)ethanesulfonamide

2-(ethylsulfonylamino)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)ethanesulfonamide (PubChem CID 120778692) has the molecular formula C11H23F3N4O4S2 and a molecular weight of 396.46 g/mol. Its IUPAC name is 2-(ethylsulfonylamino)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(ethylsulfonylamino)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)ethanesulfonamide
PubChem CID120778692
Molecular FormulaC11H23F3N4O4S2
Molecular Weight396.46 g/mol
Exact Mass396.11
IUPAC Name2-(ethylsulfonylamino)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCCS(=O)(=O)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C11H23F3N4O4S2/c1-2-23(19,20)16-5-8-24(21,22)17-9-10(11(12,13)14)18-6-3-15-4-7-18/h10,15-17H,2-9H2,1H3
InChIKeyYENHFMOAXKXDPU-UHFFFAOYSA-N
XLogP-1.32
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 5-1.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfonylamino)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)ethanesulfonamide?
The IUPAC name of 2-(ethylsulfonylamino)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)ethanesulfonamide (CID 120778692) is 2-(ethylsulfonylamino)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)ethanesulfonamide.
What is the SMILES notation for 2-(ethylsulfonylamino)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)ethanesulfonamide?
The canonical SMILES for 2-(ethylsulfonylamino)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)ethanesulfonamide is CCS(=O)(=O)NCCS(=O)(=O)NCC(N1CCNCC1)C(F)(F)F.
What is the InChIKey of 2-(ethylsulfonylamino)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)ethanesulfonamide?
The InChIKey is YENHFMOAXKXDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N4O4S2/c1-2-23(19,20)16-5-8-24(21,22)17-9-10(11(12,13)14)18-6-3-15-4-7-18/h10,15-17H,2-9H2,1H3.
What are the key properties of 2-(ethylsulfonylamino)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)ethanesulfonamide?
2-(ethylsulfonylamino)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)ethanesulfonamide has a molecular weight of 396.46 g/mol, XLogP of -1.32, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfonylamino)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)ethanesulfonamide is sourced from PubChem (CID 120778692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).