N-hydroxy-4-[4-(4-phenylpiperazin-1-yl)phenyl]sulfonyloxane-4-carboxamide

C22H27N3O5S — CID 18616892

IUPACN-hydroxy-4-[4-(4-phenylpiperazin-1-yl)phenyl]sulfonyloxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(N3CCN(c4ccccc4)CC3)cc2)CCOCC1
InChIInChI=1S/C22H27N3O5S/c26-21(23-27)22(10-16-30-17-11-22)31(28,29)20-8-6-19(7-9-20)25-14-12-24(13-15-25)18-4-2-1-3-5-18/h1-9,27H,10-17H2,(H,23,26)
InChIKeyXFIZGIIZTOASLY-UHFFFAOYSA-N
MW445.54 g/mol
LogP1.84
Rot. Bonds5

About N-hydroxy-4-[4-(4-phenylpiperazin-1-yl)phenyl]sulfonyloxane-4-carboxamide

N-hydroxy-4-[4-(4-phenylpiperazin-1-yl)phenyl]sulfonyloxane-4-carboxamide (PubChem CID 18616892) has the molecular formula C22H27N3O5S and a molecular weight of 445.54 g/mol. Its IUPAC name is N-hydroxy-4-[4-(4-phenylpiperazin-1-yl)phenyl]sulfonyloxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-(4-phenylpiperazin-1-yl)phenyl]sulfonyloxane-4-carboxamide
PubChem CID18616892
Molecular FormulaC22H27N3O5S
Molecular Weight445.54 g/mol
Exact Mass445.17
IUPAC NameN-hydroxy-4-[4-(4-phenylpiperazin-1-yl)phenyl]sulfonyloxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(N3CCN(c4ccccc4)CC3)cc2)CCOCC1
InChIInChI=1S/C22H27N3O5S/c26-21(23-27)22(10-16-30-17-11-22)31(28,29)20-8-6-19(7-9-20)25-14-12-24(13-15-25)18-4-2-1-3-5-18/h1-9,27H,10-17H2,(H,23,26)
InChIKeyXFIZGIIZTOASLY-UHFFFAOYSA-N
XLogP1.84
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 51.84
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-4-[4-(4-phenylpiperazin-1-yl)phenyl]sulfonyloxane-4-carboxamide?
The IUPAC name of N-hydroxy-4-[4-(4-phenylpiperazin-1-yl)phenyl]sulfonyloxane-4-carboxamide (CID 18616892) is N-hydroxy-4-[4-(4-phenylpiperazin-1-yl)phenyl]sulfonyloxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[4-(4-phenylpiperazin-1-yl)phenyl]sulfonyloxane-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[4-(4-phenylpiperazin-1-yl)phenyl]sulfonyloxane-4-carboxamide is O=C(NO)C1(S(=O)(=O)c2ccc(N3CCN(c4ccccc4)CC3)cc2)CCOCC1.
What is the InChIKey of N-hydroxy-4-[4-(4-phenylpiperazin-1-yl)phenyl]sulfonyloxane-4-carboxamide?
The InChIKey is XFIZGIIZTOASLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5S/c26-21(23-27)22(10-16-30-17-11-22)31(28,29)20-8-6-19(7-9-20)25-14-12-24(13-15-25)18-4-2-1-3-5-18/h1-9,27H,10-17H2,(H,23,26).
What are the key properties of N-hydroxy-4-[4-(4-phenylpiperazin-1-yl)phenyl]sulfonyloxane-4-carboxamide?
N-hydroxy-4-[4-(4-phenylpiperazin-1-yl)phenyl]sulfonyloxane-4-carboxamide has a molecular weight of 445.54 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[4-(4-phenylpiperazin-1-yl)phenyl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 18616892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).