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

C20H20N4O4S2 — CID 11316731

IUPACN-hydroxy-2-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide
SMILESO=C(NO)c1cnc(N2CCN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)CC2)s1
InChIInChI=1S/C20H20N4O4S2/c25-19(22-26)18-14-21-20(29-18)23-10-12-24(13-11-23)30(27,28)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,14,26H,10-13H2,(H,22,25)
InChIKeyNDDBGRAAXATVPM-UHFFFAOYSA-N
MW444.54 g/mol
LogP2.44
Rot. Bonds5

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

N-hydroxy-2-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide (PubChem CID 11316731) has the molecular formula C20H20N4O4S2 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-hydroxy-2-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide
PubChem CID11316731
Molecular FormulaC20H20N4O4S2
Molecular Weight444.54 g/mol
Exact Mass444.09
IUPAC NameN-hydroxy-2-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide
SMILESO=C(NO)c1cnc(N2CCN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)CC2)s1
InChIInChI=1S/C20H20N4O4S2/c25-19(22-26)18-14-21-20(29-18)23-10-12-24(13-11-23)30(27,28)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,14,26H,10-13H2,(H,22,25)
InChIKeyNDDBGRAAXATVPM-UHFFFAOYSA-N
XLogP2.44
TPSA102.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 52.44
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 N-hydroxy-2-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-hydroxy-2-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide (CID 11316731) is N-hydroxy-2-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide is O=C(NO)c1cnc(N2CCN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)CC2)s1.
What is the InChIKey of N-hydroxy-2-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is NDDBGRAAXATVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S2/c25-19(22-26)18-14-21-20(29-18)23-10-12-24(13-11-23)30(27,28)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,14,26H,10-13H2,(H,22,25).
What are the key properties of N-hydroxy-2-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide?
N-hydroxy-2-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 444.54 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 11316731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).