4-benzoyl-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide

C19H21N3O6S — CID 10526101

IUPAC4-benzoyl-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3)CC2C(=O)NO)cc1
InChIInChI=1S/C19H21N3O6S/c1-28-15-7-9-16(10-8-15)29(26,27)22-12-11-21(13-17(22)18(23)20-25)19(24)14-5-3-2-4-6-14/h2-10,17,25H,11-13H2,1H3,(H,20,23)
InChIKeyXSGJDCITTFQFMZ-UHFFFAOYSA-N
MW419.46 g/mol
LogP0.72
Rot. Bonds5

About 4-benzoyl-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide

4-benzoyl-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide (PubChem CID 10526101) has the molecular formula C19H21N3O6S and a molecular weight of 419.46 g/mol. Its IUPAC name is 4-benzoyl-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide.

Molecular Properties

Compound Name4-benzoyl-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide
PubChem CID10526101
Molecular FormulaC19H21N3O6S
Molecular Weight419.46 g/mol
Exact Mass419.12
IUPAC Name4-benzoyl-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3)CC2C(=O)NO)cc1
InChIInChI=1S/C19H21N3O6S/c1-28-15-7-9-16(10-8-15)29(26,27)22-12-11-21(13-17(22)18(23)20-25)19(24)14-5-3-2-4-6-14/h2-10,17,25H,11-13H2,1H3,(H,20,23)
InChIKeyXSGJDCITTFQFMZ-UHFFFAOYSA-N
XLogP0.72
TPSA116.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 50.72
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide?
The IUPAC name of 4-benzoyl-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide (CID 10526101) is 4-benzoyl-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide.
What is the SMILES notation for 4-benzoyl-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide?
The canonical SMILES for 4-benzoyl-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide is COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3)CC2C(=O)NO)cc1.
What is the InChIKey of 4-benzoyl-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide?
The InChIKey is XSGJDCITTFQFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O6S/c1-28-15-7-9-16(10-8-15)29(26,27)22-12-11-21(13-17(22)18(23)20-25)19(24)14-5-3-2-4-6-14/h2-10,17,25H,11-13H2,1H3,(H,20,23).
What are the key properties of 4-benzoyl-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide?
4-benzoyl-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide has a molecular weight of 419.46 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide is sourced from PubChem (CID 10526101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).