4-[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide

C22H25N5O5S — CID 71548581

IUPAC4-[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
SMILESCN(C)c1ccc(-c2cn(-c3ccc(S(=O)(=O)C4(C(=O)NO)CCOCC4)cc3)nn2)cc1
InChIInChI=1S/C22H25N5O5S/c1-26(2)17-5-3-16(4-6-17)20-15-27(25-23-20)18-7-9-19(10-8-18)33(30,31)22(21(28)24-29)11-13-32-14-12-22/h3-10,15,29H,11-14H2,1-2H3,(H,24,28)
InChIKeyOIZMOMFOLNBXHF-UHFFFAOYSA-N
MW471.54 g/mol
LogP1.83
Rot. Bonds6

About 4-[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide

4-[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide (PubChem CID 71548581) has the molecular formula C22H25N5O5S and a molecular weight of 471.54 g/mol. Its IUPAC name is 4-[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide.

Molecular Properties

Compound Name4-[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
PubChem CID71548581
Molecular FormulaC22H25N5O5S
Molecular Weight471.54 g/mol
Exact Mass471.16
IUPAC Name4-[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
SMILESCN(C)c1ccc(-c2cn(-c3ccc(S(=O)(=O)C4(C(=O)NO)CCOCC4)cc3)nn2)cc1
InChIInChI=1S/C22H25N5O5S/c1-26(2)17-5-3-16(4-6-17)20-15-27(25-23-20)18-7-9-19(10-8-18)33(30,31)22(21(28)24-29)11-13-32-14-12-22/h3-10,15,29H,11-14H2,1-2H3,(H,24,28)
InChIKeyOIZMOMFOLNBXHF-UHFFFAOYSA-N
XLogP1.83
TPSA126.65 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 51.83
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'}

Analyze 4-[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenyl]sulfonyl-N-hydroxyoxane-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

Related Compounds

N-hydroxy-4-[4-[4-(4-methoxyphenyl)triazol-1-yl]phenyl]sulfonyloxane-4-carboxamide
CID 45280173
N-hydroxy-4-[4-[4-(4-phenylphenyl)triazol-1-yl]phenyl]sulfonyloxane-4-carboxamide
CID 45280174
4-[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide
CID 71547352
N-hydroxy-4-[4-[4-[4-[methyl(propan-2-yl)amino]phenyl]triazol-1-yl]phenyl]sulfonylpiperidine-4-carboxamide
CID 118723755
N-hydroxy-4-[4-[4-(4-pyridin-4-ylphenyl)triazol-1-yl]phenyl]sulfonyloxane-4-carboxamide
CID 71547260
2-[[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenyl]sulfonylamino]-N-hydroxy-3-phenylpropanamide
CID 71547432
4-[4-[4-[2-(benzotriazol-2-yl)ethyl]triazol-1-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 177375296
4-[4-[4-(3-fluorophenyl)triazol-1-yl]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide
CID 71547354
4-[4-[4-(4-fluorophenyl)triazol-1-yl]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide
CID 72696851
4-[4-[4-(2-fluorophenyl)triazol-1-yl]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide
CID 72696853
N-hydroxy-4-(4-pyrazin-2-ylphenyl)sulfonyloxane-4-carboxamide
CID 58623168
N-hydroxy-4-[4-[5-(3-methylbutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide
CID 58623223

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide?
The IUPAC name of 4-[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide (CID 71548581) is 4-[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide.
What is the SMILES notation for 4-[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide?
The canonical SMILES for 4-[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide is CN(C)c1ccc(-c2cn(-c3ccc(S(=O)(=O)C4(C(=O)NO)CCOCC4)cc3)nn2)cc1.
What is the InChIKey of 4-[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide?
The InChIKey is OIZMOMFOLNBXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O5S/c1-26(2)17-5-3-16(4-6-17)20-15-27(25-23-20)18-7-9-19(10-8-18)33(30,31)22(21(28)24-29)11-13-32-14-12-22/h3-10,15,29H,11-14H2,1-2H3,(H,24,28).
What are the key properties of 4-[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide?
4-[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide has a molecular weight of 471.54 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide is sourced from PubChem (CID 71548581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).