N-hydroxy-2-[3-[4-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]sulfonylbenzamide;molecular hydrogen

C18H19F3N2O5S — CID 160946886

IUPACN-hydroxy-2-[3-[4-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]sulfonylbenzamide;molecular hydrogen
SMILESO=C(NO)c1ccccc1S(=O)(=O)N1CCC(Oc2ccc(C(F)(F)F)cc2)C1.[H][H]
InChIInChI=1S/C18H17F3N2O5S.H2/c19-18(20,21)12-5-7-13(8-6-12)28-14-9-10-23(11-14)29(26,27)16-4-2-1-3-15(16)17(24)22-25;/h1-8,14,25H,9-11H2,(H,22,24);1H
InChIKeySVFUSQGESWZQBG-UHFFFAOYSA-N
MW432.42 g/mol
LogP2.91
Rot. Bonds5

About N-hydroxy-2-[3-[4-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]sulfonylbenzamide;molecular hydrogen

N-hydroxy-2-[3-[4-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]sulfonylbenzamide;molecular hydrogen (PubChem CID 160946886) has the molecular formula C18H19F3N2O5S and a molecular weight of 432.42 g/mol. Its IUPAC name is N-hydroxy-2-[3-[4-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]sulfonylbenzamide;molecular hydrogen.

Molecular Properties

Compound NameN-hydroxy-2-[3-[4-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]sulfonylbenzamide;molecular hydrogen
PubChem CID160946886
Molecular FormulaC18H19F3N2O5S
Molecular Weight432.42 g/mol
Exact Mass432.10
IUPAC NameN-hydroxy-2-[3-[4-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]sulfonylbenzamide;molecular hydrogen
SMILESO=C(NO)c1ccccc1S(=O)(=O)N1CCC(Oc2ccc(C(F)(F)F)cc2)C1.[H][H]
InChIInChI=1S/C18H17F3N2O5S.H2/c19-18(20,21)12-5-7-13(8-6-12)28-14-9-10-23(11-14)29(26,27)16-4-2-1-3-15(16)17(24)22-25;/h1-8,14,25H,9-11H2,(H,22,24);1H
InChIKeySVFUSQGESWZQBG-UHFFFAOYSA-N
XLogP2.91
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.42
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbenzoic acid
CID 20613333
N-hydroxy-2-(4-pyridin-4-yloxypiperidin-1-yl)sulfonylbenzamide
CID 10177607
1-N-[2-(dimethylamino)ethyl]-2-N-hydroxy-3-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbenzene-1,2-dicarboxamide
CID 20613481
N-hydroxy-2-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]sulfonylbenzamide
CID 142207294
2-(hydroxycarbamoyl)-3-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]sulfonylbenzoic acid
CID 20613388
(3S)-3-(4-fluorophenoxy)-1-(2-methylsulfonylphenyl)sulfonylpyrrolidine
CID 154843466
N-hydroxy-2,3-dimethoxy-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbenzamide;N-hydroxy-2-[3-[(4-methoxybenzoyl)amino]pyrrolidin-1-yl]sulfonylbenzamide;N-hydroxy-2-[(4-phenoxyphenyl)sulfamoyl]benzamide;N-hydroxy-2-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]sulfonylbenzamide;N-hydroxy-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbenzamide;N-hydroxy-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]sulfonylbenzamide
CID 157230865
(3S)-3-[4-(trifluoromethyl)phenoxy]pyrrolidine-1-carboxylic acid
CID 175135309
1,6-dimethyl-4-[(3S)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]oxypyridin-2-one
CID 99991423
1-(1-methylpiperidin-4-yl)sulfonyl-4-[4-(trifluoromethyl)phenoxy]piperidine
CID 59989393
N-hydroxy-2-[4-(4-methylphenoxy)piperidin-1-yl]sulfonyl-6-[[N-methyl-C-(trifluoromethyl)carbonimidoyl]amino]benzamide
CID 142207407
1-cyclopropyl-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide
CID 22052601

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[3-[4-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]sulfonylbenzamide;molecular hydrogen?
The IUPAC name of N-hydroxy-2-[3-[4-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]sulfonylbenzamide;molecular hydrogen (CID 160946886) is N-hydroxy-2-[3-[4-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]sulfonylbenzamide;molecular hydrogen.
What is the SMILES notation for N-hydroxy-2-[3-[4-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]sulfonylbenzamide;molecular hydrogen?
The canonical SMILES for N-hydroxy-2-[3-[4-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]sulfonylbenzamide;molecular hydrogen is O=C(NO)c1ccccc1S(=O)(=O)N1CCC(Oc2ccc(C(F)(F)F)cc2)C1.[H][H].
What is the InChIKey of N-hydroxy-2-[3-[4-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]sulfonylbenzamide;molecular hydrogen?
The InChIKey is SVFUSQGESWZQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O5S.H2/c19-18(20,21)12-5-7-13(8-6-12)28-14-9-10-23(11-14)29(26,27)16-4-2-1-3-15(16)17(24)22-25;/h1-8,14,25H,9-11H2,(H,22,24);1H.
What are the key properties of N-hydroxy-2-[3-[4-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]sulfonylbenzamide;molecular hydrogen?
N-hydroxy-2-[3-[4-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]sulfonylbenzamide;molecular hydrogen has a molecular weight of 432.42 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[3-[4-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]sulfonylbenzamide;molecular hydrogen is sourced from PubChem (CID 160946886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).