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

C29H25N5O5S — CID 71547435

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

N-hydroxy-2-[[4-[4-(4-phenoxyphenyl)triazol-1-yl]phenyl]sulfonylamino]-3-phenylpropanamide (PubChem CID 71547435) has the molecular formula C29H25N5O5S and a molecular weight of 555.62 g/mol. Its IUPAC name is N-hydroxy-2-[[4-[4-(4-phenoxyphenyl)triazol-1-yl]phenyl]sulfonylamino]-3-phenylpropanamide.

Molecular Properties

• Compound Name: N-hydroxy-2-[[4-[4-(4-phenoxyphenyl)triazol-1-yl]phenyl]sulfonylamino]-3-phenylpropanamide
• PubChem CID: 71547435
• Molecular Formula: C29H25N5O5S
• Molecular Weight: 555.62 g/mol
• Exact Mass: 555.16
• IUPAC Name: N-hydroxy-2-[[4-[4-(4-phenoxyphenyl)triazol-1-yl]phenyl]sulfonylamino]-3-phenylpropanamide
• SMILES: O=C(NO)C(Cc1ccccc1)NS(=O)(=O)c1ccc(-n2cc(-c3ccc(Oc4ccccc4)cc3)nn2)cc1
• InChI: InChI=1S/C29H25N5O5S/c35-29(31-36)27(19-21-7-3-1-4-8-21)32-40(37,38)26-17-13-23(14-18-26)34-20-28(30-33-34)22-11-15-25(16-12-22)39-24-9-5-2-6-10-24/h1-18,20,27,32,36H,19H2,(H,31,35)
• InChIKey: GJNIZZFQJBGBEF-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 135.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	555.62
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[[4-[4-(4-phenoxyphenyl)triazol-1-yl]phenyl]sulfonylamino]-3-phenylpropanamide?

The IUPAC name of N-hydroxy-2-[[4-[4-(4-phenoxyphenyl)triazol-1-yl]phenyl]sulfonylamino]-3-phenylpropanamide (CID 71547435) is N-hydroxy-2-[[4-[4-(4-phenoxyphenyl)triazol-1-yl]phenyl]sulfonylamino]-3-phenylpropanamide.

What is the SMILES notation for N-hydroxy-2-[[4-[4-(4-phenoxyphenyl)triazol-1-yl]phenyl]sulfonylamino]-3-phenylpropanamide?

The canonical SMILES for N-hydroxy-2-[[4-[4-(4-phenoxyphenyl)triazol-1-yl]phenyl]sulfonylamino]-3-phenylpropanamide is O=C(NO)C(Cc1ccccc1)NS(=O)(=O)c1ccc(-n2cc(-c3ccc(Oc4ccccc4)cc3)nn2)cc1.

What is the InChIKey of N-hydroxy-2-[[4-[4-(4-phenoxyphenyl)triazol-1-yl]phenyl]sulfonylamino]-3-phenylpropanamide?

The InChIKey is GJNIZZFQJBGBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N5O5S/c35-29(31-36)27(19-21-7-3-1-4-8-21)32-40(37,38)26-17-13-23(14-18-26)34-20-28(30-33-34)22-11-15-25(16-12-22)39-24-9-5-2-6-10-24/h1-18,20,27,32,36H,19H2,(H,31,35).

What are the key properties of N-hydroxy-2-[[4-[4-(4-phenoxyphenyl)triazol-1-yl]phenyl]sulfonylamino]-3-phenylpropanamide?

N-hydroxy-2-[[4-[4-(4-phenoxyphenyl)triazol-1-yl]phenyl]sulfonylamino]-3-phenylpropanamide has a molecular weight of 555.62 g/mol, XLogP of 4.12, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-hydroxy-2-[[4-[4-(4-phenoxyphenyl)triazol-1-yl]phenyl]sulfonylamino]-3-phenylpropanamide is sourced from PubChem (CID 71547435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).