N-hydroxy-2-[4-[4-(trifluoromethoxy)phenyl]sulfanylpiperidin-1-yl]sulfonylacetamide

C14H17F3N2O5S2 — CID 142009634

IUPACN-hydroxy-2-[4-[4-(trifluoromethoxy)phenyl]sulfanylpiperidin-1-yl]sulfonylacetamide
SMILESO=C(CS(=O)(=O)N1CCC(Sc2ccc(OC(F)(F)F)cc2)CC1)NO
InChIInChI=1S/C14H17F3N2O5S2/c15-14(16,17)24-10-1-3-11(4-2-10)25-12-5-7-19(8-6-12)26(22,23)9-13(20)18-21/h1-4,12,21H,5-9H2,(H,18,20)
InChIKeyKCDIDTJHZWWHJD-UHFFFAOYSA-N
MW414.43 g/mol
LogP1.98
Rot. Bonds6

About N-hydroxy-2-[4-[4-(trifluoromethoxy)phenyl]sulfanylpiperidin-1-yl]sulfonylacetamide

N-hydroxy-2-[4-[4-(trifluoromethoxy)phenyl]sulfanylpiperidin-1-yl]sulfonylacetamide (PubChem CID 142009634) has the molecular formula C14H17F3N2O5S2 and a molecular weight of 414.43 g/mol. Its IUPAC name is N-hydroxy-2-[4-[4-(trifluoromethoxy)phenyl]sulfanylpiperidin-1-yl]sulfonylacetamide.

Molecular Properties

Compound NameN-hydroxy-2-[4-[4-(trifluoromethoxy)phenyl]sulfanylpiperidin-1-yl]sulfonylacetamide
PubChem CID142009634
Molecular FormulaC14H17F3N2O5S2
Molecular Weight414.43 g/mol
Exact Mass414.05
IUPAC NameN-hydroxy-2-[4-[4-(trifluoromethoxy)phenyl]sulfanylpiperidin-1-yl]sulfonylacetamide
SMILESO=C(CS(=O)(=O)N1CCC(Sc2ccc(OC(F)(F)F)cc2)CC1)NO
InChIInChI=1S/C14H17F3N2O5S2/c15-14(16,17)24-10-1-3-11(4-2-10)25-12-5-7-19(8-6-12)26(22,23)9-13(20)18-21/h1-4,12,21H,5-9H2,(H,18,20)
InChIKeyKCDIDTJHZWWHJD-UHFFFAOYSA-N
XLogP1.98
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 52516209
2-(4-methylpiperidin-1-yl)sulfonyl-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 52516208
ethane;[4-(1-methylpiperidin-4-yl)sulfanylphenyl] trifluoromethanesulfonate
CID 142266575
[1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]methanol
CID 62373102
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
N-hydroxy-2-[2-[4-[4-(trifluoromethyl)phenyl]sulfanylpiperidin-1-yl]sulfonylphenyl]butanamide
CID 59096974
1-ethylsulfonyl-N-[3-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 38267925
N,2-dihydroxy-6-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]sulfonylcyclohexa-1,5-diene-1-carboxamide
CID 142206895
[4-[4-(trifluoromethyl)phenyl]sulfanylpiperidin-1-yl] 1-(hydroxyamino)-2-methyl-1-oxopropane-2-sulfinate
CID 18723073
(3S,4R)-4-hydroxy-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine-3-carboxylic acid
CID 135089574
2-(cyclopropylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 60842957

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[4-[4-(trifluoromethoxy)phenyl]sulfanylpiperidin-1-yl]sulfonylacetamide?
The IUPAC name of N-hydroxy-2-[4-[4-(trifluoromethoxy)phenyl]sulfanylpiperidin-1-yl]sulfonylacetamide (CID 142009634) is N-hydroxy-2-[4-[4-(trifluoromethoxy)phenyl]sulfanylpiperidin-1-yl]sulfonylacetamide.
What is the SMILES notation for N-hydroxy-2-[4-[4-(trifluoromethoxy)phenyl]sulfanylpiperidin-1-yl]sulfonylacetamide?
The canonical SMILES for N-hydroxy-2-[4-[4-(trifluoromethoxy)phenyl]sulfanylpiperidin-1-yl]sulfonylacetamide is O=C(CS(=O)(=O)N1CCC(Sc2ccc(OC(F)(F)F)cc2)CC1)NO.
What is the InChIKey of N-hydroxy-2-[4-[4-(trifluoromethoxy)phenyl]sulfanylpiperidin-1-yl]sulfonylacetamide?
The InChIKey is KCDIDTJHZWWHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O5S2/c15-14(16,17)24-10-1-3-11(4-2-10)25-12-5-7-19(8-6-12)26(22,23)9-13(20)18-21/h1-4,12,21H,5-9H2,(H,18,20).
What are the key properties of N-hydroxy-2-[4-[4-(trifluoromethoxy)phenyl]sulfanylpiperidin-1-yl]sulfonylacetamide?
N-hydroxy-2-[4-[4-(trifluoromethoxy)phenyl]sulfanylpiperidin-1-yl]sulfonylacetamide has a molecular weight of 414.43 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[4-[4-(trifluoromethoxy)phenyl]sulfanylpiperidin-1-yl]sulfonylacetamide is sourced from PubChem (CID 142009634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).