N,2-dihydroxy-6-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]sulfonylcyclohexa-1,5-diene-1-carboxamide

C19H21F3N2O7S — CID 142206895

IUPACN,2-dihydroxy-6-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]sulfonylcyclohexa-1,5-diene-1-carboxamide
SMILESO=C(NO)C1=C(O)CCC=C1S(=O)(=O)N1CCC(Oc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C19H21F3N2O7S/c20-19(21,22)31-14-6-4-12(5-7-14)30-13-8-10-24(11-9-13)32(28,29)16-3-1-2-15(25)17(16)18(26)23-27/h3-7,13,25,27H,1-2,8-11H2,(H,23,26)
InChIKeySZIMNDVDIMDSIK-UHFFFAOYSA-N
MW478.45 g/mol
LogP2.75
Rot. Bonds6

About N,2-dihydroxy-6-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]sulfonylcyclohexa-1,5-diene-1-carboxamide

N,2-dihydroxy-6-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]sulfonylcyclohexa-1,5-diene-1-carboxamide (PubChem CID 142206895) has the molecular formula C19H21F3N2O7S and a molecular weight of 478.45 g/mol. Its IUPAC name is N,2-dihydroxy-6-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]sulfonylcyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound NameN,2-dihydroxy-6-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]sulfonylcyclohexa-1,5-diene-1-carboxamide
PubChem CID142206895
Molecular FormulaC19H21F3N2O7S
Molecular Weight478.45 g/mol
Exact Mass478.10
IUPAC NameN,2-dihydroxy-6-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]sulfonylcyclohexa-1,5-diene-1-carboxamide
SMILESO=C(NO)C1=C(O)CCC=C1S(=O)(=O)N1CCC(Oc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C19H21F3N2O7S/c20-19(21,22)31-14-6-4-12(5-7-14)30-13-8-10-24(11-9-13)32(28,29)16-3-1-2-15(25)17(16)18(26)23-27/h3-7,13,25,27H,1-2,8-11H2,(H,23,26)
InChIKeySZIMNDVDIMDSIK-UHFFFAOYSA-N
XLogP2.75
TPSA125.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.45
LogP ≤ 52.75
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

2-(hydroxycarbamoyl)-3-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]sulfonylbenzoic acid
CID 20613388
N-hydroxy-1-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]sulfonylcyclohexane-1-carboxamide
CID 142009576
N-hydroxy-2-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]sulfonylbenzamide
CID 142207294
2-methyl-5-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxypyridine
CID 90566588
2-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]acetamide
CID 67524289
N-hydroxy-4-(4-phenoxypiperidin-1-yl)sulfonyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 20613448
2-[4-(4-chlorophenoxy)piperidin-1-yl]sulfonyl-N-hydroxy-6-methoxybenzamide
CID 20613325
1-(4-methoxyphenyl)-3-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxyurea
CID 87275451
2-chloro-4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]phenol
CID 70873529
1-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxypentan-2-one
CID 58235378
(E)-1-cyclopropyl-3-methyl-4-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]but-3-en-2-one
CID 58065337
N-hydroxy-2-(4-pyridin-4-yloxypiperidin-1-yl)sulfonylbenzamide
CID 10177607

Frequently Asked Questions

What is the IUPAC name of N,2-dihydroxy-6-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]sulfonylcyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of N,2-dihydroxy-6-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]sulfonylcyclohexa-1,5-diene-1-carboxamide (CID 142206895) is N,2-dihydroxy-6-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]sulfonylcyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for N,2-dihydroxy-6-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]sulfonylcyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for N,2-dihydroxy-6-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]sulfonylcyclohexa-1,5-diene-1-carboxamide is O=C(NO)C1=C(O)CCC=C1S(=O)(=O)N1CCC(Oc2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of N,2-dihydroxy-6-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]sulfonylcyclohexa-1,5-diene-1-carboxamide?
The InChIKey is SZIMNDVDIMDSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O7S/c20-19(21,22)31-14-6-4-12(5-7-14)30-13-8-10-24(11-9-13)32(28,29)16-3-1-2-15(25)17(16)18(26)23-27/h3-7,13,25,27H,1-2,8-11H2,(H,23,26).
What are the key properties of N,2-dihydroxy-6-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]sulfonylcyclohexa-1,5-diene-1-carboxamide?
N,2-dihydroxy-6-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]sulfonylcyclohexa-1,5-diene-1-carboxamide has a molecular weight of 478.45 g/mol, XLogP of 2.75, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dihydroxy-6-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]sulfonylcyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 142206895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).