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

C26H24N4O5S — CID 45280174

IUPACN-hydroxy-4-[4-[4-(4-phenylphenyl)triazol-1-yl]phenyl]sulfonyloxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(-n3cc(-c4ccc(-c5ccccc5)cc4)nn3)cc2)CCOCC1
InChIInChI=1S/C26H24N4O5S/c31-25(28-32)26(14-16-35-17-15-26)36(33,34)23-12-10-22(11-13-23)30-18-24(27-29-30)21-8-6-20(7-9-21)19-4-2-1-3-5-19/h1-13,18,32H,14-17H2,(H,28,31)
InChIKeyKMXAXPCBRVZOGA-UHFFFAOYSA-N
MW504.57 g/mol
LogP3.43
Rot. Bonds6

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

N-hydroxy-4-[4-[4-(4-phenylphenyl)triazol-1-yl]phenyl]sulfonyloxane-4-carboxamide (PubChem CID 45280174) has the molecular formula C26H24N4O5S and a molecular weight of 504.57 g/mol. Its IUPAC name is N-hydroxy-4-[4-[4-(4-phenylphenyl)triazol-1-yl]phenyl]sulfonyloxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-[4-(4-phenylphenyl)triazol-1-yl]phenyl]sulfonyloxane-4-carboxamide
PubChem CID45280174
Molecular FormulaC26H24N4O5S
Molecular Weight504.57 g/mol
Exact Mass504.15
IUPAC NameN-hydroxy-4-[4-[4-(4-phenylphenyl)triazol-1-yl]phenyl]sulfonyloxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(-n3cc(-c4ccc(-c5ccccc5)cc4)nn3)cc2)CCOCC1
InChIInChI=1S/C26H24N4O5S/c31-25(28-32)26(14-16-35-17-15-26)36(33,34)23-12-10-22(11-13-23)30-18-24(27-29-30)21-8-6-20(7-9-21)19-4-2-1-3-5-19/h1-13,18,32H,14-17H2,(H,28,31)
InChIKeyKMXAXPCBRVZOGA-UHFFFAOYSA-N
XLogP3.43
TPSA123.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.57
LogP ≤ 53.43
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 N-hydroxy-4-[4-[4-(4-phenylphenyl)triazol-1-yl]phenyl]sulfonyloxane-4-carboxamide?
The IUPAC name of N-hydroxy-4-[4-[4-(4-phenylphenyl)triazol-1-yl]phenyl]sulfonyloxane-4-carboxamide (CID 45280174) is N-hydroxy-4-[4-[4-(4-phenylphenyl)triazol-1-yl]phenyl]sulfonyloxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[4-[4-(4-phenylphenyl)triazol-1-yl]phenyl]sulfonyloxane-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[4-[4-(4-phenylphenyl)triazol-1-yl]phenyl]sulfonyloxane-4-carboxamide is O=C(NO)C1(S(=O)(=O)c2ccc(-n3cc(-c4ccc(-c5ccccc5)cc4)nn3)cc2)CCOCC1.
What is the InChIKey of N-hydroxy-4-[4-[4-(4-phenylphenyl)triazol-1-yl]phenyl]sulfonyloxane-4-carboxamide?
The InChIKey is KMXAXPCBRVZOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O5S/c31-25(28-32)26(14-16-35-17-15-26)36(33,34)23-12-10-22(11-13-23)30-18-24(27-29-30)21-8-6-20(7-9-21)19-4-2-1-3-5-19/h1-13,18,32H,14-17H2,(H,28,31).
What are the key properties of N-hydroxy-4-[4-[4-(4-phenylphenyl)triazol-1-yl]phenyl]sulfonyloxane-4-carboxamide?
N-hydroxy-4-[4-[4-(4-phenylphenyl)triazol-1-yl]phenyl]sulfonyloxane-4-carboxamide has a molecular weight of 504.57 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[4-[4-(4-phenylphenyl)triazol-1-yl]phenyl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 45280174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).