2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide

C14H15FN4O4S2 — CID 11485984

IUPAC2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide
SMILESO=C(NO)c1cnc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)s1
InChIInChI=1S/C14H15FN4O4S2/c15-10-1-3-11(4-2-10)25(22,23)19-7-5-18(6-8-19)14-16-9-12(24-14)13(20)17-21/h1-4,9,21H,5-8H2,(H,17,20)
InChIKeyWFYBTESVTKBMEB-UHFFFAOYSA-N
MW386.43 g/mol
LogP0.91
Rot. Bonds4

About 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide

2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide (PubChem CID 11485984) has the molecular formula C14H15FN4O4S2 and a molecular weight of 386.43 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide
PubChem CID11485984
Molecular FormulaC14H15FN4O4S2
Molecular Weight386.43 g/mol
Exact Mass386.05
IUPAC Name2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide
SMILESO=C(NO)c1cnc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)s1
InChIInChI=1S/C14H15FN4O4S2/c15-10-1-3-11(4-2-10)25(22,23)19-7-5-18(6-8-19)14-16-9-12(24-14)13(20)17-21/h1-4,9,21H,5-8H2,(H,17,20)
InChIKeyWFYBTESVTKBMEB-UHFFFAOYSA-N
XLogP0.91
TPSA102.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide (CID 11485984) is 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide is O=C(NO)c1cnc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)s1.
What is the InChIKey of 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide?
The InChIKey is WFYBTESVTKBMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O4S2/c15-10-1-3-11(4-2-10)25(22,23)19-7-5-18(6-8-19)14-16-9-12(24-14)13(20)17-21/h1-4,9,21H,5-8H2,(H,17,20).
What are the key properties of 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide?
2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide has a molecular weight of 386.43 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 11485984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).