N-hydroxy-5-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-2-carboxamide

C21H21F3N2O7S — CID 140516726

IUPACN-hydroxy-5-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-2-carboxamide
SMILESO=C(NO)C1CC2CN(S(=O)(=O)c3ccc(Oc4ccc(OC(F)(F)F)cc4)cc3)CCC2O1
InChIInChI=1S/C21H21F3N2O7S/c22-21(23,24)33-16-3-1-14(2-4-16)31-15-5-7-17(8-6-15)34(29,30)26-10-9-18-13(12-26)11-19(32-18)20(27)25-28/h1-8,13,18-19,28H,9-12H2,(H,25,27)
InChIKeyZAOVOPMKLZAXRP-UHFFFAOYSA-N
MW502.47 g/mol
LogP3.05
Rot. Bonds6

About N-hydroxy-5-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-2-carboxamide

N-hydroxy-5-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-2-carboxamide (PubChem CID 140516726) has the molecular formula C21H21F3N2O7S and a molecular weight of 502.47 g/mol. Its IUPAC name is N-hydroxy-5-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-5-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-2-carboxamide
PubChem CID140516726
Molecular FormulaC21H21F3N2O7S
Molecular Weight502.47 g/mol
Exact Mass502.10
IUPAC NameN-hydroxy-5-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-2-carboxamide
SMILESO=C(NO)C1CC2CN(S(=O)(=O)c3ccc(Oc4ccc(OC(F)(F)F)cc4)cc3)CCC2O1
InChIInChI=1S/C21H21F3N2O7S/c22-21(23,24)33-16-3-1-14(2-4-16)31-15-5-7-17(8-6-15)34(29,30)26-10-9-18-13(12-26)11-19(32-18)20(27)25-28/h1-8,13,18-19,28H,9-12H2,(H,25,27)
InChIKeyZAOVOPMKLZAXRP-UHFFFAOYSA-N
XLogP3.05
TPSA114.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.47
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-hydroxy-5-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-2-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

5-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxy-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-2-carboxamide
CID 140523364
[1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]methanol
CID 62373102
(3S,4R)-4-hydroxy-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine-3-carboxylic acid
CID 135089574
N-[(3R)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]acetamide
CID 26412918
(3aR,7aR)-2-[4-(trifluoromethoxy)phenyl]sulfonyl-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrole-3a-carboxylic acid
CID 154811658
4-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]morpholine
CID 118314272
[5-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-4-yl] hydrogen carbonate
CID 69149390
N-methyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-amine;hydrochloride
CID 120714915
3-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]prop-2-enoic acid
CID 66681921
N-pyrrolidin-1-yl-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]acetamide
CID 24958593
cyclopropyl-[2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine-1-carbonyl]pyrrolidin-1-yl]methanone
CID 55631115
1-(4-methylphenyl)-3-[(3S)-1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]oxyurea
CID 58235347

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-5-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of N-hydroxy-5-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-2-carboxamide (CID 140516726) is N-hydroxy-5-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for N-hydroxy-5-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for N-hydroxy-5-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-2-carboxamide is O=C(NO)C1CC2CN(S(=O)(=O)c3ccc(Oc4ccc(OC(F)(F)F)cc4)cc3)CCC2O1.
What is the InChIKey of N-hydroxy-5-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-2-carboxamide?
The InChIKey is ZAOVOPMKLZAXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O7S/c22-21(23,24)33-16-3-1-14(2-4-16)31-15-5-7-17(8-6-15)34(29,30)26-10-9-18-13(12-26)11-19(32-18)20(27)25-28/h1-8,13,18-19,28H,9-12H2,(H,25,27).
What are the key properties of N-hydroxy-5-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-2-carboxamide?
N-hydroxy-5-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-2-carboxamide has a molecular weight of 502.47 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 140516726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).