2-[4-[4-(4a,9b-dihydrodibenzofuran-4-yl)phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide

C27H25N5O5S — CID 59264565

IUPAC2-[4-[4-(4a,9b-dihydrodibenzofuran-4-yl)phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(N2CCN(S(=O)(=O)c3ccc(C4=CC=CC5c6ccccc6OC45)cc3)CC2)nc1
InChIInChI=1S/C27H25N5O5S/c33-26(30-34)19-16-28-27(29-17-19)31-12-14-32(15-13-31)38(35,36)20-10-8-18(9-11-20)21-5-3-6-23-22-4-1-2-7-24(22)37-25(21)23/h1-11,16-17,23,25,34H,12-15H2,(H,30,33)
InChIKeyXKZNOIVYIFXLGE-UHFFFAOYSA-N
MW531.59 g/mol
LogP2.60
Rot. Bonds5

About 2-[4-[4-(4a,9b-dihydrodibenzofuran-4-yl)phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide

2-[4-[4-(4a,9b-dihydrodibenzofuran-4-yl)phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide (PubChem CID 59264565) has the molecular formula C27H25N5O5S and a molecular weight of 531.59 g/mol. Its IUPAC name is 2-[4-[4-(4a,9b-dihydrodibenzofuran-4-yl)phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[4-[4-(4a,9b-dihydrodibenzofuran-4-yl)phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide
PubChem CID59264565
Molecular FormulaC27H25N5O5S
Molecular Weight531.59 g/mol
Exact Mass531.16
IUPAC Name2-[4-[4-(4a,9b-dihydrodibenzofuran-4-yl)phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(N2CCN(S(=O)(=O)c3ccc(C4=CC=CC5c6ccccc6OC45)cc3)CC2)nc1
InChIInChI=1S/C27H25N5O5S/c33-26(30-34)19-16-28-27(29-17-19)31-12-14-32(15-13-31)38(35,36)20-10-8-18(9-11-20)21-5-3-6-23-22-4-1-2-7-24(22)37-25(21)23/h1-11,16-17,23,25,34H,12-15H2,(H,30,33)
InChIKeyXKZNOIVYIFXLGE-UHFFFAOYSA-N
XLogP2.60
TPSA124.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.59
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-(4a,9b-dihydrodibenzofuran-4-yl)phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide?
The IUPAC name of 2-[4-[4-(4a,9b-dihydrodibenzofuran-4-yl)phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide (CID 59264565) is 2-[4-[4-(4a,9b-dihydrodibenzofuran-4-yl)phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-[4-[4-(4a,9b-dihydrodibenzofuran-4-yl)phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide?
The canonical SMILES for 2-[4-[4-(4a,9b-dihydrodibenzofuran-4-yl)phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide is O=C(NO)c1cnc(N2CCN(S(=O)(=O)c3ccc(C4=CC=CC5c6ccccc6OC45)cc3)CC2)nc1.
What is the InChIKey of 2-[4-[4-(4a,9b-dihydrodibenzofuran-4-yl)phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide?
The InChIKey is XKZNOIVYIFXLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O5S/c33-26(30-34)19-16-28-27(29-17-19)31-12-14-32(15-13-31)38(35,36)20-10-8-18(9-11-20)21-5-3-6-23-22-4-1-2-7-24(22)37-25(21)23/h1-11,16-17,23,25,34H,12-15H2,(H,30,33).
What are the key properties of 2-[4-[4-(4a,9b-dihydrodibenzofuran-4-yl)phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide?
2-[4-[4-(4a,9b-dihydrodibenzofuran-4-yl)phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide has a molecular weight of 531.59 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4a,9b-dihydrodibenzofuran-4-yl)phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide is sourced from PubChem (CID 59264565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).