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

C22H26N6O4S — CID 71547352

IUPAC4-[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide
SMILESCN(C)c1ccc(-c2cn(-c3ccc(S(=O)(=O)C4(C(=O)NO)CCNCC4)cc3)nn2)cc1
InChIInChI=1S/C22H26N6O4S/c1-27(2)17-5-3-16(4-6-17)20-15-28(26-24-20)18-7-9-19(10-8-18)33(31,32)22(21(29)25-30)11-13-23-14-12-22/h3-10,15,23,30H,11-14H2,1-2H3,(H,25,29)
InChIKeyDFSJOYHCSMRYOD-UHFFFAOYSA-N
MW470.56 g/mol
LogP1.40
Rot. Bonds6

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

4-[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide (PubChem CID 71547352) has the molecular formula C22H26N6O4S and a molecular weight of 470.56 g/mol. Its IUPAC name is 4-[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide.

Molecular Properties

Compound Name4-[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide
PubChem CID71547352
Molecular FormulaC22H26N6O4S
Molecular Weight470.56 g/mol
Exact Mass470.17
IUPAC Name4-[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide
SMILESCN(C)c1ccc(-c2cn(-c3ccc(S(=O)(=O)C4(C(=O)NO)CCNCC4)cc3)nn2)cc1
InChIInChI=1S/C22H26N6O4S/c1-27(2)17-5-3-16(4-6-17)20-15-28(26-24-20)18-7-9-19(10-8-18)33(31,32)22(21(29)25-30)11-13-23-14-12-22/h3-10,15,23,30H,11-14H2,1-2H3,(H,25,29)
InChIKeyDFSJOYHCSMRYOD-UHFFFAOYSA-N
XLogP1.40
TPSA129.45 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.56
LogP ≤ 51.40
H-Bond Donors ≤ 53
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide?
The IUPAC name of 4-[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide (CID 71547352) is 4-[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide.
What is the SMILES notation for 4-[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide?
The canonical SMILES for 4-[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide is CN(C)c1ccc(-c2cn(-c3ccc(S(=O)(=O)C4(C(=O)NO)CCNCC4)cc3)nn2)cc1.
What is the InChIKey of 4-[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide?
The InChIKey is DFSJOYHCSMRYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O4S/c1-27(2)17-5-3-16(4-6-17)20-15-28(26-24-20)18-7-9-19(10-8-18)33(31,32)22(21(29)25-30)11-13-23-14-12-22/h3-10,15,23,30H,11-14H2,1-2H3,(H,25,29).
What are the key properties of 4-[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide?
4-[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide has a molecular weight of 470.56 g/mol, XLogP of 1.40, 6 rotatable bonds, 3 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-hydroxypiperidine-4-carboxamide is sourced from PubChem (CID 71547352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).