N-hydroxy-3-[3-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonyl-8-azaspiro[4.5]decane-3-carboxamide

C23H25F3N2O6S — CID 118179839

IUPACN-hydroxy-3-[3-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonyl-8-azaspiro[4.5]decane-3-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2cccc(Oc3ccc(OC(F)(F)F)cc3)c2)CCC2(CCNCC2)C1
InChIInChI=1S/C23H25F3N2O6S/c24-23(25,26)34-17-6-4-16(5-7-17)33-18-2-1-3-19(14-18)35(31,32)22(20(29)28-30)9-8-21(15-22)10-12-27-13-11-21/h1-7,14,27,30H,8-13,15H2,(H,28,29)
InChIKeyJACRQYGPRRDHPH-UHFFFAOYSA-N
MW514.52 g/mol
LogP3.95
Rot. Bonds6

About N-hydroxy-3-[3-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonyl-8-azaspiro[4.5]decane-3-carboxamide

N-hydroxy-3-[3-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonyl-8-azaspiro[4.5]decane-3-carboxamide (PubChem CID 118179839) has the molecular formula C23H25F3N2O6S and a molecular weight of 514.52 g/mol. Its IUPAC name is N-hydroxy-3-[3-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonyl-8-azaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-3-[3-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonyl-8-azaspiro[4.5]decane-3-carboxamide
PubChem CID118179839
Molecular FormulaC23H25F3N2O6S
Molecular Weight514.52 g/mol
Exact Mass514.14
IUPAC NameN-hydroxy-3-[3-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonyl-8-azaspiro[4.5]decane-3-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2cccc(Oc3ccc(OC(F)(F)F)cc3)c2)CCC2(CCNCC2)C1
InChIInChI=1S/C23H25F3N2O6S/c24-23(25,26)34-17-6-4-16(5-7-17)33-18-2-1-3-19(14-18)35(31,32)22(20(29)28-30)9-8-21(15-22)10-12-27-13-11-21/h1-7,14,27,30H,8-13,15H2,(H,28,29)
InChIKeyJACRQYGPRRDHPH-UHFFFAOYSA-N
XLogP3.95
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.52
LogP ≤ 53.95
H-Bond Donors ≤ 53
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'}

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Related Compounds

4-[3-[[3-(hydroxycarbamoyl)-8-azaspiro[4.5]decan-3-yl]sulfonyl]phenoxy]benzoic acid
CID 118179857
3-[3-chloro-4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonyl-N-hydroxy-8-azaspiro[4.5]decane-3-carboxamide
CID 118179865
[3-[(3-carbamoyl-8-azaspiro[4.5]decan-3-yl)sulfonyl]phenyl] 4-(trifluoromethoxy)benzoate
CID 123158468
N-hydroxy-3-[4-[3-(methylcarbamoyl)phenoxy]phenyl]sulfonyl-8-azaspiro[4.5]decane-3-carboxamide
CID 118734984
3-[4-[4-(difluoromethoxy)phenoxy]phenyl]sulfonyl-N-hydroxy-8-azaspiro[4.5]decane-3-carboxamide
CID 118179870
N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide
CID 22485386
(3S)-3-(3-chloro-4-methoxyphenyl)sulfonyl-N-hydroxy-8-azaspiro[4.5]decane-3-carboxamide
CID 118179842
[2-chloro-4-[[3-(hydroxycarbamoyl)-8-azaspiro[4.5]decan-3-yl]sulfonyl]phenyl] 4-methoxybenzoate
CID 118179860
1-carbamothioyl-N-hydroxy-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide
CID 142028448
1-benzoyl-N-hydroxy-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide
CID 22707809
N-hydroxy-1,3-dimethyl-5-(3-phenoxyphenyl)sulfonyl-1,3-diazinane-5-carboxamide
CID 22985853
ethyl 4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxylate;hydrochloride
CID 46938824

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[3-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonyl-8-azaspiro[4.5]decane-3-carboxamide?
The IUPAC name of N-hydroxy-3-[3-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonyl-8-azaspiro[4.5]decane-3-carboxamide (CID 118179839) is N-hydroxy-3-[3-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonyl-8-azaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for N-hydroxy-3-[3-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonyl-8-azaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for N-hydroxy-3-[3-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonyl-8-azaspiro[4.5]decane-3-carboxamide is O=C(NO)C1(S(=O)(=O)c2cccc(Oc3ccc(OC(F)(F)F)cc3)c2)CCC2(CCNCC2)C1.
What is the InChIKey of N-hydroxy-3-[3-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonyl-8-azaspiro[4.5]decane-3-carboxamide?
The InChIKey is JACRQYGPRRDHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N2O6S/c24-23(25,26)34-17-6-4-16(5-7-17)33-18-2-1-3-19(14-18)35(31,32)22(20(29)28-30)9-8-21(15-22)10-12-27-13-11-21/h1-7,14,27,30H,8-13,15H2,(H,28,29).
What are the key properties of N-hydroxy-3-[3-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonyl-8-azaspiro[4.5]decane-3-carboxamide?
N-hydroxy-3-[3-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonyl-8-azaspiro[4.5]decane-3-carboxamide has a molecular weight of 514.52 g/mol, XLogP of 3.95, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[3-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonyl-8-azaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 118179839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).