4-(2,2,2-trifluoroacetyl)piperazine-1-sulfonamide

C6H10F3N3O3S — CID 61128999

IUPAC4-(2,2,2-trifluoroacetyl)piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C6H10F3N3O3S/c7-6(8,9)5(13)11-1-3-12(4-2-11)16(10,14)15/h1-4H2,(H2,10,14,15)
InChIKeyPWBABFONVVSMNC-UHFFFAOYSA-N
MW261.22 g/mol
LogP-1.10
Rot. Bonds1

About 4-(2,2,2-trifluoroacetyl)piperazine-1-sulfonamide

4-(2,2,2-trifluoroacetyl)piperazine-1-sulfonamide (PubChem CID 61128999) has the molecular formula C6H10F3N3O3S and a molecular weight of 261.22 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroacetyl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(2,2,2-trifluoroacetyl)piperazine-1-sulfonamide
PubChem CID61128999
Molecular FormulaC6H10F3N3O3S
Molecular Weight261.22 g/mol
Exact Mass261.04
IUPAC Name4-(2,2,2-trifluoroacetyl)piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C6H10F3N3O3S/c7-6(8,9)5(13)11-1-3-12(4-2-11)16(10,14)15/h1-4H2,(H2,10,14,15)
InChIKeyPWBABFONVVSMNC-UHFFFAOYSA-N
XLogP-1.10
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.22
LogP ≤ 5-1.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Acetylpiperazine-1-sulfonamide
CID 60728422
2,2,2-Trifluoro-1-[4-(methanesulfonyl)piperazin-1-yl]ethan-1-one
CID 57357273
CID 57541027
CID 57541027
1-[4-(Trifluoromethylsulfonyl)piperazin-1-yl]ethanone
CID 126758715
2,2,2-Trifluoro-1-(4-sulfanylpiperazin-1-yl)ethanone
CID 144646918
N-(4-acetylpiperazin-1-yl)sulfonyl-N-(2,2-difluoroethyl)acetamide
CID 171507577
N-methyl-2-(4-sulfamoylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 47283294
4-(3,3,3-Trifluoropropanoyl)piperazine-1-sulfonamide
CID 61128991
N,N-dimethyl-4-(2,2,2-trifluoroacetyl)piperazine-1-sulfonamide
CID 62727305
4-(4,4,4-Trifluorobutanoyl)piperazine-1-sulfonamide
CID 65713218
4-[2-(2,2,2-Trifluoroethylamino)acetyl]piperazine-1-sulfonamide
CID 78958384
4-[3,3,3-Trifluoro-2-(trifluoromethyl)propanoyl]piperazine-1-sulfonamide
CID 103310840

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroacetyl)piperazine-1-sulfonamide?
The IUPAC name of 4-(2,2,2-trifluoroacetyl)piperazine-1-sulfonamide (CID 61128999) is 4-(2,2,2-trifluoroacetyl)piperazine-1-sulfonamide.
What is the SMILES notation for 4-(2,2,2-trifluoroacetyl)piperazine-1-sulfonamide?
The canonical SMILES for 4-(2,2,2-trifluoroacetyl)piperazine-1-sulfonamide is NS(=O)(=O)N1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of 4-(2,2,2-trifluoroacetyl)piperazine-1-sulfonamide?
The InChIKey is PWBABFONVVSMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3N3O3S/c7-6(8,9)5(13)11-1-3-12(4-2-11)16(10,14)15/h1-4H2,(H2,10,14,15).
What are the key properties of 4-(2,2,2-trifluoroacetyl)piperazine-1-sulfonamide?
4-(2,2,2-trifluoroacetyl)piperazine-1-sulfonamide has a molecular weight of 261.22 g/mol, XLogP of -1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroacetyl)piperazine-1-sulfonamide is sourced from PubChem (CID 61128999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).