N-[2-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-1-phenylethyl]-N-hydroxyformamide

C20H23FN2O4S — CID 88918978

IUPACN-[2-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-1-phenylethyl]-N-hydroxyformamide
SMILESO=CN(O)C(CS(=O)(=O)N1CCC(c2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C20H23FN2O4S/c21-19-8-6-16(7-9-19)17-10-12-22(13-11-17)28(26,27)14-20(23(25)15-24)18-4-2-1-3-5-18/h1-9,15,17,20,25H,10-14H2
InChIKeyIYHHYNKGDOYRCI-UHFFFAOYSA-N
MW406.48 g/mol
LogP2.92
Rot. Bonds7

About N-[2-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-1-phenylethyl]-N-hydroxyformamide

N-[2-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-1-phenylethyl]-N-hydroxyformamide (PubChem CID 88918978) has the molecular formula C20H23FN2O4S and a molecular weight of 406.48 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-1-phenylethyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-1-phenylethyl]-N-hydroxyformamide
PubChem CID88918978
Molecular FormulaC20H23FN2O4S
Molecular Weight406.48 g/mol
Exact Mass406.14
IUPAC NameN-[2-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-1-phenylethyl]-N-hydroxyformamide
SMILESO=CN(O)C(CS(=O)(=O)N1CCC(c2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C20H23FN2O4S/c21-19-8-6-16(7-9-19)17-10-12-22(13-11-17)28(26,27)14-20(23(25)15-24)18-4-2-1-3-5-18/h1-9,15,17,20,25H,10-14H2
InChIKeyIYHHYNKGDOYRCI-UHFFFAOYSA-N
XLogP2.92
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-1-phenylethyl]-N-hydroxyformamide?
The IUPAC name of N-[2-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-1-phenylethyl]-N-hydroxyformamide (CID 88918978) is N-[2-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-1-phenylethyl]-N-hydroxyformamide.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-1-phenylethyl]-N-hydroxyformamide?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-1-phenylethyl]-N-hydroxyformamide is O=CN(O)C(CS(=O)(=O)N1CCC(c2ccc(F)cc2)CC1)c1ccccc1.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-1-phenylethyl]-N-hydroxyformamide?
The InChIKey is IYHHYNKGDOYRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O4S/c21-19-8-6-16(7-9-19)17-10-12-22(13-11-17)28(26,27)14-20(23(25)15-24)18-4-2-1-3-5-18/h1-9,15,17,20,25H,10-14H2.
What are the key properties of N-[2-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-1-phenylethyl]-N-hydroxyformamide?
N-[2-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-1-phenylethyl]-N-hydroxyformamide has a molecular weight of 406.48 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-1-phenylethyl]-N-hydroxyformamide is sourced from PubChem (CID 88918978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).