N-hydroxy-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylamino]acetamide

C12H16F3N5O4S — CID 22615560

IUPACN-hydroxy-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylamino]acetamide
SMILESO=C(CNS(=O)(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1)NO
InChIInChI=1S/C12H16F3N5O4S/c13-12(14,15)9-1-2-10(16-7-9)19-3-5-20(6-4-19)25(23,24)17-8-11(21)18-22/h1-2,7,17,22H,3-6,8H2,(H,18,21)
InChIKeyNMMQUQXUJMJNAA-UHFFFAOYSA-N
MW383.35 g/mol
LogP-0.44
Rot. Bonds5

About N-hydroxy-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylamino]acetamide

N-hydroxy-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylamino]acetamide (PubChem CID 22615560) has the molecular formula C12H16F3N5O4S and a molecular weight of 383.35 g/mol. Its IUPAC name is N-hydroxy-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylamino]acetamide
PubChem CID22615560
Molecular FormulaC12H16F3N5O4S
Molecular Weight383.35 g/mol
Exact Mass383.09
IUPAC NameN-hydroxy-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylamino]acetamide
SMILESO=C(CNS(=O)(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1)NO
InChIInChI=1S/C12H16F3N5O4S/c13-12(14,15)9-1-2-10(16-7-9)19-3-5-20(6-4-19)25(23,24)17-8-11(21)18-22/h1-2,7,17,22H,3-6,8H2,(H,18,21)
InChIKeyNMMQUQXUJMJNAA-UHFFFAOYSA-N
XLogP-0.44
TPSA114.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.35
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]propanamide
CID 37096307
N-[4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 1484987
1-(azepan-1-ylsulfonyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane
CID 24592288
cis-(1S,2R)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 51673380
2,2,2-trifluoroethyl 4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxylate
CID 47085107
1-(4-ethylphenyl)sulfonyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 29347792
3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide
CID 38559713
N-methyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]acetamide
CID 51561809
[4-(trifluoromethyl)phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 27809741
N-(1-adamantyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 9288391
N-(4-methylphenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 29107496
N-prop-2-enyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 38522896

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylamino]acetamide?
The IUPAC name of N-hydroxy-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylamino]acetamide (CID 22615560) is N-hydroxy-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylamino]acetamide.
What is the SMILES notation for N-hydroxy-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylamino]acetamide?
The canonical SMILES for N-hydroxy-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylamino]acetamide is O=C(CNS(=O)(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1)NO.
What is the InChIKey of N-hydroxy-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylamino]acetamide?
The InChIKey is NMMQUQXUJMJNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N5O4S/c13-12(14,15)9-1-2-10(16-7-9)19-3-5-20(6-4-19)25(23,24)17-8-11(21)18-22/h1-2,7,17,22H,3-6,8H2,(H,18,21).
What are the key properties of N-hydroxy-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylamino]acetamide?
N-hydroxy-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylamino]acetamide has a molecular weight of 383.35 g/mol, XLogP of -0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylamino]acetamide is sourced from PubChem (CID 22615560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).