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

C14H16N4O4S2 — CID 11462782

IUPAC2-[4-(benzenesulfonyl)piperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide
SMILESO=C(NO)c1cnc(N2CCN(S(=O)(=O)c3ccccc3)CC2)s1
InChIInChI=1S/C14H16N4O4S2/c19-13(16-20)12-10-15-14(23-12)17-6-8-18(9-7-17)24(21,22)11-4-2-1-3-5-11/h1-5,10,20H,6-9H2,(H,16,19)
InChIKeyVIXYFHCVTWUEOQ-UHFFFAOYSA-N
MW368.44 g/mol
LogP0.77
Rot. Bonds4

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

2-[4-(benzenesulfonyl)piperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide (PubChem CID 11462782) has the molecular formula C14H16N4O4S2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-(benzenesulfonyl)piperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide
PubChem CID11462782
Molecular FormulaC14H16N4O4S2
Molecular Weight368.44 g/mol
Exact Mass368.06
IUPAC Name2-[4-(benzenesulfonyl)piperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide
SMILESO=C(NO)c1cnc(N2CCN(S(=O)(=O)c3ccccc3)CC2)s1
InChIInChI=1S/C14H16N4O4S2/c19-13(16-20)12-10-15-14(23-12)17-6-8-18(9-7-17)24(21,22)11-4-2-1-3-5-11/h1-5,10,20H,6-9H2,(H,16,19)
InChIKeyVIXYFHCVTWUEOQ-UHFFFAOYSA-N
XLogP0.77
TPSA102.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 50.77
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-(benzenesulfonyl)piperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide (CID 11462782) is 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide is O=C(NO)c1cnc(N2CCN(S(=O)(=O)c3ccccc3)CC2)s1.
What is the InChIKey of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide?
The InChIKey is VIXYFHCVTWUEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4S2/c19-13(16-20)12-10-15-14(23-12)17-6-8-18(9-7-17)24(21,22)11-4-2-1-3-5-11/h1-5,10,20H,6-9H2,(H,16,19).
What are the key properties of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide?
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 11462782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).