2-[[4-[4-(3-fluorophenyl)triazol-1-yl]phenyl]sulfonylamino]-N-hydroxy-3-phenylpropanamide

C23H20FN5O4S — CID 71547356

IUPAC2-[[4-[4-(3-fluorophenyl)triazol-1-yl]phenyl]sulfonylamino]-N-hydroxy-3-phenylpropanamide
SMILESO=C(NO)C(Cc1ccccc1)NS(=O)(=O)c1ccc(-n2cc(-c3cccc(F)c3)nn2)cc1
InChIInChI=1S/C23H20FN5O4S/c24-18-8-4-7-17(14-18)22-15-29(28-25-22)19-9-11-20(12-10-19)34(32,33)27-21(23(30)26-31)13-16-5-2-1-3-6-16/h1-12,14-15,21,27,31H,13H2,(H,26,30)
InChIKeyBHYJUKCADJYTHA-UHFFFAOYSA-N
MW481.51 g/mol
LogP2.47
Rot. Bonds8

About 2-[[4-[4-(3-fluorophenyl)triazol-1-yl]phenyl]sulfonylamino]-N-hydroxy-3-phenylpropanamide

2-[[4-[4-(3-fluorophenyl)triazol-1-yl]phenyl]sulfonylamino]-N-hydroxy-3-phenylpropanamide (PubChem CID 71547356) has the molecular formula C23H20FN5O4S and a molecular weight of 481.51 g/mol. Its IUPAC name is 2-[[4-[4-(3-fluorophenyl)triazol-1-yl]phenyl]sulfonylamino]-N-hydroxy-3-phenylpropanamide.

Molecular Properties

Compound Name2-[[4-[4-(3-fluorophenyl)triazol-1-yl]phenyl]sulfonylamino]-N-hydroxy-3-phenylpropanamide
PubChem CID71547356
Molecular FormulaC23H20FN5O4S
Molecular Weight481.51 g/mol
Exact Mass481.12
IUPAC Name2-[[4-[4-(3-fluorophenyl)triazol-1-yl]phenyl]sulfonylamino]-N-hydroxy-3-phenylpropanamide
SMILESO=C(NO)C(Cc1ccccc1)NS(=O)(=O)c1ccc(-n2cc(-c3cccc(F)c3)nn2)cc1
InChIInChI=1S/C23H20FN5O4S/c24-18-8-4-7-17(14-18)22-15-29(28-25-22)19-9-11-20(12-10-19)34(32,33)27-21(23(30)26-31)13-16-5-2-1-3-6-16/h1-12,14-15,21,27,31H,13H2,(H,26,30)
InChIKeyBHYJUKCADJYTHA-UHFFFAOYSA-N
XLogP2.47
TPSA126.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.51
LogP ≤ 52.47
H-Bond Donors ≤ 53
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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Related Compounds

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4-[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide
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N-hydroxy-4-[4-[4-[4-[methyl(propan-2-yl)amino]phenyl]triazol-1-yl]phenyl]sulfonylpiperidine-4-carboxamide
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N-hydroxy-3-phenyl-2-[[4-[1-(4-phenylphenyl)triazol-4-yl]phenyl]sulfonylamino]propanamide
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2-[[4-[1-[(4-Fluorophenyl)methyl]triazol-4-yl]phenyl]sulfonylamino]acetamide
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2-[[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenyl]sulfonylamino]-N-hydroxy-3-phenylpropanamide
CID 71547432
N-[4-[4-[3-[4-(4-fluorophenyl)triazol-1-yl]propyl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 172445819
N-[3-[1-(4-sulfamoylphenyl)triazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 172636302
3,5-difluoro-N-[3-[1-(4-sulfamoylphenyl)triazol-4-yl]phenyl]benzamide
CID 172636377
3,5-dimethyl-N-[3-[1-(4-sulfamoylphenyl)triazol-4-yl]phenyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-(3-fluorophenyl)triazol-1-yl]phenyl]sulfonylamino]-N-hydroxy-3-phenylpropanamide?
The IUPAC name of 2-[[4-[4-(3-fluorophenyl)triazol-1-yl]phenyl]sulfonylamino]-N-hydroxy-3-phenylpropanamide (CID 71547356) is 2-[[4-[4-(3-fluorophenyl)triazol-1-yl]phenyl]sulfonylamino]-N-hydroxy-3-phenylpropanamide.
What is the SMILES notation for 2-[[4-[4-(3-fluorophenyl)triazol-1-yl]phenyl]sulfonylamino]-N-hydroxy-3-phenylpropanamide?
The canonical SMILES for 2-[[4-[4-(3-fluorophenyl)triazol-1-yl]phenyl]sulfonylamino]-N-hydroxy-3-phenylpropanamide is O=C(NO)C(Cc1ccccc1)NS(=O)(=O)c1ccc(-n2cc(-c3cccc(F)c3)nn2)cc1.
What is the InChIKey of 2-[[4-[4-(3-fluorophenyl)triazol-1-yl]phenyl]sulfonylamino]-N-hydroxy-3-phenylpropanamide?
The InChIKey is BHYJUKCADJYTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O4S/c24-18-8-4-7-17(14-18)22-15-29(28-25-22)19-9-11-20(12-10-19)34(32,33)27-21(23(30)26-31)13-16-5-2-1-3-6-16/h1-12,14-15,21,27,31H,13H2,(H,26,30).
What are the key properties of 2-[[4-[4-(3-fluorophenyl)triazol-1-yl]phenyl]sulfonylamino]-N-hydroxy-3-phenylpropanamide?
2-[[4-[4-(3-fluorophenyl)triazol-1-yl]phenyl]sulfonylamino]-N-hydroxy-3-phenylpropanamide has a molecular weight of 481.51 g/mol, XLogP of 2.47, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-(3-fluorophenyl)triazol-1-yl]phenyl]sulfonylamino]-N-hydroxy-3-phenylpropanamide is sourced from PubChem (CID 71547356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).