N-hydroxy-4-[4-[3-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]propoxy]phenyl]sulfonyloxane-4-carboxamide

C24H24F3N3O8S — CID 20620619

IUPACN-hydroxy-4-[4-[3-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]propoxy]phenyl]sulfonyloxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(OCCCc3nnc(-c4ccc(OC(F)(F)F)cc4)o3)cc2)CCOCC1
InChIInChI=1S/C24H24F3N3O8S/c25-24(26,27)38-18-5-3-16(4-6-18)21-29-28-20(37-21)2-1-13-36-17-7-9-19(10-8-17)39(33,34)23(22(31)30-32)11-14-35-15-12-23/h3-10,32H,1-2,11-15H2,(H,30,31)
InChIKeyBDSHYXPXSLIEPQ-UHFFFAOYSA-N
MW571.53 g/mol
LogP3.48
Rot. Bonds10

About N-hydroxy-4-[4-[3-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]propoxy]phenyl]sulfonyloxane-4-carboxamide

N-hydroxy-4-[4-[3-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]propoxy]phenyl]sulfonyloxane-4-carboxamide (PubChem CID 20620619) has the molecular formula C24H24F3N3O8S and a molecular weight of 571.53 g/mol. Its IUPAC name is N-hydroxy-4-[4-[3-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]propoxy]phenyl]sulfonyloxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-[3-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]propoxy]phenyl]sulfonyloxane-4-carboxamide
PubChem CID20620619
Molecular FormulaC24H24F3N3O8S
Molecular Weight571.53 g/mol
Exact Mass571.12
IUPAC NameN-hydroxy-4-[4-[3-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]propoxy]phenyl]sulfonyloxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(OCCCc3nnc(-c4ccc(OC(F)(F)F)cc4)o3)cc2)CCOCC1
InChIInChI=1S/C24H24F3N3O8S/c25-24(26,27)38-18-5-3-16(4-6-18)21-29-28-20(37-21)2-1-13-36-17-7-9-19(10-8-17)39(33,34)23(22(31)30-32)11-14-35-15-12-23/h3-10,32H,1-2,11-15H2,(H,30,31)
InChIKeyBDSHYXPXSLIEPQ-UHFFFAOYSA-N
XLogP3.48
TPSA150.08 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.53
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-[3-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]propoxy]phenyl]sulfonyloxane-4-carboxamide?
The IUPAC name of N-hydroxy-4-[4-[3-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]propoxy]phenyl]sulfonyloxane-4-carboxamide (CID 20620619) is N-hydroxy-4-[4-[3-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]propoxy]phenyl]sulfonyloxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[4-[3-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]propoxy]phenyl]sulfonyloxane-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[4-[3-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]propoxy]phenyl]sulfonyloxane-4-carboxamide is O=C(NO)C1(S(=O)(=O)c2ccc(OCCCc3nnc(-c4ccc(OC(F)(F)F)cc4)o3)cc2)CCOCC1.
What is the InChIKey of N-hydroxy-4-[4-[3-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]propoxy]phenyl]sulfonyloxane-4-carboxamide?
The InChIKey is BDSHYXPXSLIEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O8S/c25-24(26,27)38-18-5-3-16(4-6-18)21-29-28-20(37-21)2-1-13-36-17-7-9-19(10-8-17)39(33,34)23(22(31)30-32)11-14-35-15-12-23/h3-10,32H,1-2,11-15H2,(H,30,31).
What are the key properties of N-hydroxy-4-[4-[3-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]propoxy]phenyl]sulfonyloxane-4-carboxamide?
N-hydroxy-4-[4-[3-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]propoxy]phenyl]sulfonyloxane-4-carboxamide has a molecular weight of 571.53 g/mol, XLogP of 3.48, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[4-[3-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]propoxy]phenyl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 20620619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).