2-[4-(difluoromethylsulfonyl)piperazin-1-yl]-N'-hydroxyethanimidamide

C7H14F2N4O3S — CID 55203302

IUPAC2-[4-(difluoromethylsulfonyl)piperazin-1-yl]-N'-hydroxyethanimidamide
SMILESN/C(CN1CCN(S(=O)(=O)C(F)F)CC1)=N\O
InChIInChI=1S/C7H14F2N4O3S/c8-7(9)17(15,16)13-3-1-12(2-4-13)5-6(10)11-14/h7,14H,1-5H2,(H2,10,11)
InChIKeyDRAAGJBQHDJKRC-UHFFFAOYSA-N
MW272.28 g/mol
LogP-1.10
Rot. Bonds4

About 2-[4-(difluoromethylsulfonyl)piperazin-1-yl]-N'-hydroxyethanimidamide

2-[4-(difluoromethylsulfonyl)piperazin-1-yl]-N'-hydroxyethanimidamide (PubChem CID 55203302) has the molecular formula C7H14F2N4O3S and a molecular weight of 272.28 g/mol. Its IUPAC name is 2-[4-(difluoromethylsulfonyl)piperazin-1-yl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[4-(difluoromethylsulfonyl)piperazin-1-yl]-N'-hydroxyethanimidamide
PubChem CID55203302
Molecular FormulaC7H14F2N4O3S
Molecular Weight272.28 g/mol
Exact Mass272.08
IUPAC Name2-[4-(difluoromethylsulfonyl)piperazin-1-yl]-N'-hydroxyethanimidamide
SMILESN/C(CN1CCN(S(=O)(=O)C(F)F)CC1)=N\O
InChIInChI=1S/C7H14F2N4O3S/c8-7(9)17(15,16)13-3-1-12(2-4-13)5-6(10)11-14/h7,14H,1-5H2,(H2,10,11)
InChIKeyDRAAGJBQHDJKRC-UHFFFAOYSA-N
XLogP-1.10
TPSA99.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethylsulfonyl)piperazin-1-yl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[4-(difluoromethylsulfonyl)piperazin-1-yl]-N'-hydroxyethanimidamide (CID 55203302) is 2-[4-(difluoromethylsulfonyl)piperazin-1-yl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[4-(difluoromethylsulfonyl)piperazin-1-yl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[4-(difluoromethylsulfonyl)piperazin-1-yl]-N'-hydroxyethanimidamide is N/C(CN1CCN(S(=O)(=O)C(F)F)CC1)=N\O.
What is the InChIKey of 2-[4-(difluoromethylsulfonyl)piperazin-1-yl]-N'-hydroxyethanimidamide?
The InChIKey is DRAAGJBQHDJKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N4O3S/c8-7(9)17(15,16)13-3-1-12(2-4-13)5-6(10)11-14/h7,14H,1-5H2,(H2,10,11).
What are the key properties of 2-[4-(difluoromethylsulfonyl)piperazin-1-yl]-N'-hydroxyethanimidamide?
2-[4-(difluoromethylsulfonyl)piperazin-1-yl]-N'-hydroxyethanimidamide has a molecular weight of 272.28 g/mol, XLogP of -1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethylsulfonyl)piperazin-1-yl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 55203302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).