N-hydroxy-4-[4-[4-(4-pyridin-4-ylphenyl)triazol-1-yl]phenyl]sulfonyloxane-4-carboxamide

C25H23N5O5S — CID 71547260

IUPACN-hydroxy-4-[4-[4-(4-pyridin-4-ylphenyl)triazol-1-yl]phenyl]sulfonyloxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(-n3cc(-c4ccc(-c5ccncc5)cc4)nn3)cc2)CCOCC1
InChIInChI=1S/C25H23N5O5S/c31-24(28-32)25(11-15-35-16-12-25)36(33,34)22-7-5-21(6-8-22)30-17-23(27-29-30)20-3-1-18(2-4-20)19-9-13-26-14-10-19/h1-10,13-14,17,32H,11-12,15-16H2,(H,28,31)
InChIKeyLATUPWGRCONBPX-UHFFFAOYSA-N
MW505.56 g/mol
LogP2.82
Rot. Bonds6

About N-hydroxy-4-[4-[4-(4-pyridin-4-ylphenyl)triazol-1-yl]phenyl]sulfonyloxane-4-carboxamide

N-hydroxy-4-[4-[4-(4-pyridin-4-ylphenyl)triazol-1-yl]phenyl]sulfonyloxane-4-carboxamide (PubChem CID 71547260) has the molecular formula C25H23N5O5S and a molecular weight of 505.56 g/mol. Its IUPAC name is N-hydroxy-4-[4-[4-(4-pyridin-4-ylphenyl)triazol-1-yl]phenyl]sulfonyloxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-[4-(4-pyridin-4-ylphenyl)triazol-1-yl]phenyl]sulfonyloxane-4-carboxamide
PubChem CID71547260
Molecular FormulaC25H23N5O5S
Molecular Weight505.56 g/mol
Exact Mass505.14
IUPAC NameN-hydroxy-4-[4-[4-(4-pyridin-4-ylphenyl)triazol-1-yl]phenyl]sulfonyloxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(-n3cc(-c4ccc(-c5ccncc5)cc4)nn3)cc2)CCOCC1
InChIInChI=1S/C25H23N5O5S/c31-24(28-32)25(11-15-35-16-12-25)36(33,34)22-7-5-21(6-8-22)30-17-23(27-29-30)20-3-1-18(2-4-20)19-9-13-26-14-10-19/h1-10,13-14,17,32H,11-12,15-16H2,(H,28,31)
InChIKeyLATUPWGRCONBPX-UHFFFAOYSA-N
XLogP2.82
TPSA136.30 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.56
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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-(4-pyridin-4-ylphenyl)triazol-1-yl]phenyl]sulfonyloxane-4-carboxamide?
The IUPAC name of N-hydroxy-4-[4-[4-(4-pyridin-4-ylphenyl)triazol-1-yl]phenyl]sulfonyloxane-4-carboxamide (CID 71547260) is N-hydroxy-4-[4-[4-(4-pyridin-4-ylphenyl)triazol-1-yl]phenyl]sulfonyloxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[4-[4-(4-pyridin-4-ylphenyl)triazol-1-yl]phenyl]sulfonyloxane-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[4-[4-(4-pyridin-4-ylphenyl)triazol-1-yl]phenyl]sulfonyloxane-4-carboxamide is O=C(NO)C1(S(=O)(=O)c2ccc(-n3cc(-c4ccc(-c5ccncc5)cc4)nn3)cc2)CCOCC1.
What is the InChIKey of N-hydroxy-4-[4-[4-(4-pyridin-4-ylphenyl)triazol-1-yl]phenyl]sulfonyloxane-4-carboxamide?
The InChIKey is LATUPWGRCONBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O5S/c31-24(28-32)25(11-15-35-16-12-25)36(33,34)22-7-5-21(6-8-22)30-17-23(27-29-30)20-3-1-18(2-4-20)19-9-13-26-14-10-19/h1-10,13-14,17,32H,11-12,15-16H2,(H,28,31).
What are the key properties of N-hydroxy-4-[4-[4-(4-pyridin-4-ylphenyl)triazol-1-yl]phenyl]sulfonyloxane-4-carboxamide?
N-hydroxy-4-[4-[4-(4-pyridin-4-ylphenyl)triazol-1-yl]phenyl]sulfonyloxane-4-carboxamide has a molecular weight of 505.56 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[4-[4-(4-pyridin-4-ylphenyl)triazol-1-yl]phenyl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 71547260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).