N-hydroxy-4-[4-[3-[(2-hydroxybenzoyl)amino]propoxy]phenyl]sulfonyloxane-4-carboxamide

C22H26N2O8S — CID 20620298

IUPACN-hydroxy-4-[4-[3-[(2-hydroxybenzoyl)amino]propoxy]phenyl]sulfonyloxane-4-carboxamide
SMILESO=C(NCCCOc1ccc(S(=O)(=O)C2(C(=O)NO)CCOCC2)cc1)c1ccccc1O
InChIInChI=1S/C22H26N2O8S/c25-19-5-2-1-4-18(19)20(26)23-12-3-13-32-16-6-8-17(9-7-16)33(29,30)22(21(27)24-28)10-14-31-15-11-22/h1-2,4-9,25,28H,3,10-15H2,(H,23,26)(H,24,27)
InChIKeySBBXILYXPPBNRA-UHFFFAOYSA-N
MW478.52 g/mol
LogP1.42
Rot. Bonds9

About N-hydroxy-4-[4-[3-[(2-hydroxybenzoyl)amino]propoxy]phenyl]sulfonyloxane-4-carboxamide

N-hydroxy-4-[4-[3-[(2-hydroxybenzoyl)amino]propoxy]phenyl]sulfonyloxane-4-carboxamide (PubChem CID 20620298) has the molecular formula C22H26N2O8S and a molecular weight of 478.52 g/mol. Its IUPAC name is N-hydroxy-4-[4-[3-[(2-hydroxybenzoyl)amino]propoxy]phenyl]sulfonyloxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-[3-[(2-hydroxybenzoyl)amino]propoxy]phenyl]sulfonyloxane-4-carboxamide
PubChem CID20620298
Molecular FormulaC22H26N2O8S
Molecular Weight478.52 g/mol
Exact Mass478.14
IUPAC NameN-hydroxy-4-[4-[3-[(2-hydroxybenzoyl)amino]propoxy]phenyl]sulfonyloxane-4-carboxamide
SMILESO=C(NCCCOc1ccc(S(=O)(=O)C2(C(=O)NO)CCOCC2)cc1)c1ccccc1O
InChIInChI=1S/C22H26N2O8S/c25-19-5-2-1-4-18(19)20(26)23-12-3-13-32-16-6-8-17(9-7-16)33(29,30)22(21(27)24-28)10-14-31-15-11-22/h1-2,4-9,25,28H,3,10-15H2,(H,23,26)(H,24,27)
InChIKeySBBXILYXPPBNRA-UHFFFAOYSA-N
XLogP1.42
TPSA151.26 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.52
LogP ≤ 51.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-hydroxy-4-[4-[3-[(2-hydroxybenzoyl)amino]propoxy]phenyl]sulfonyloxane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-[3-[(2-hydroxybenzoyl)amino]propoxy]phenyl]sulfonyloxane-4-carboxamide?
The IUPAC name of N-hydroxy-4-[4-[3-[(2-hydroxybenzoyl)amino]propoxy]phenyl]sulfonyloxane-4-carboxamide (CID 20620298) is N-hydroxy-4-[4-[3-[(2-hydroxybenzoyl)amino]propoxy]phenyl]sulfonyloxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[4-[3-[(2-hydroxybenzoyl)amino]propoxy]phenyl]sulfonyloxane-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[4-[3-[(2-hydroxybenzoyl)amino]propoxy]phenyl]sulfonyloxane-4-carboxamide is O=C(NCCCOc1ccc(S(=O)(=O)C2(C(=O)NO)CCOCC2)cc1)c1ccccc1O.
What is the InChIKey of N-hydroxy-4-[4-[3-[(2-hydroxybenzoyl)amino]propoxy]phenyl]sulfonyloxane-4-carboxamide?
The InChIKey is SBBXILYXPPBNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O8S/c25-19-5-2-1-4-18(19)20(26)23-12-3-13-32-16-6-8-17(9-7-16)33(29,30)22(21(27)24-28)10-14-31-15-11-22/h1-2,4-9,25,28H,3,10-15H2,(H,23,26)(H,24,27).
What are the key properties of N-hydroxy-4-[4-[3-[(2-hydroxybenzoyl)amino]propoxy]phenyl]sulfonyloxane-4-carboxamide?
N-hydroxy-4-[4-[3-[(2-hydroxybenzoyl)amino]propoxy]phenyl]sulfonyloxane-4-carboxamide has a molecular weight of 478.52 g/mol, XLogP of 1.42, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[4-[3-[(2-hydroxybenzoyl)amino]propoxy]phenyl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 20620298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).