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

C20H22Cl2N2O5S — CID 58685788

IUPACN-[2-[4-(2,4-dichlorophenoxy)piperidin-1-yl]sulfonyl-1-phenylethyl]-N-hydroxyformamide
SMILESO=CN(O)C(CS(=O)(=O)N1CCC(Oc2ccc(Cl)cc2Cl)CC1)c1ccccc1
InChIInChI=1S/C20H22Cl2N2O5S/c21-16-6-7-20(18(22)12-16)29-17-8-10-23(11-9-17)30(27,28)13-19(24(26)14-25)15-4-2-1-3-5-15/h1-7,12,14,17,19,26H,8-11,13H2
InChIKeyHVYRIPAMKMYLJQ-UHFFFAOYSA-N
MW473.38 g/mol
LogP3.76
Rot. Bonds8

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

N-[2-[4-(2,4-dichlorophenoxy)piperidin-1-yl]sulfonyl-1-phenylethyl]-N-hydroxyformamide (PubChem CID 58685788) has the molecular formula C20H22Cl2N2O5S and a molecular weight of 473.38 g/mol. Its IUPAC name is N-[2-[4-(2,4-dichlorophenoxy)piperidin-1-yl]sulfonyl-1-phenylethyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[2-[4-(2,4-dichlorophenoxy)piperidin-1-yl]sulfonyl-1-phenylethyl]-N-hydroxyformamide
PubChem CID58685788
Molecular FormulaC20H22Cl2N2O5S
Molecular Weight473.38 g/mol
Exact Mass472.06
IUPAC NameN-[2-[4-(2,4-dichlorophenoxy)piperidin-1-yl]sulfonyl-1-phenylethyl]-N-hydroxyformamide
SMILESO=CN(O)C(CS(=O)(=O)N1CCC(Oc2ccc(Cl)cc2Cl)CC1)c1ccccc1
InChIInChI=1S/C20H22Cl2N2O5S/c21-16-6-7-20(18(22)12-16)29-17-8-10-23(11-9-17)30(27,28)13-19(24(26)14-25)15-4-2-1-3-5-15/h1-7,12,14,17,19,26H,8-11,13H2
InChIKeyHVYRIPAMKMYLJQ-UHFFFAOYSA-N
XLogP3.76
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.38
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Related Compounds

N-hydroxy-N-[(1R)-2-[4-(4-methyl-2-nitrophenoxy)piperidin-1-yl]sulfonyl-1-phenylethyl]formamide
CID 90996203
[(1R)-2-[4-(4-chloro-2-fluorophenoxy)piperidin-1-yl]sulfonyl-1-phenylethyl]carbamic acid
CID 91253803
N-[2-[4-[(3-chlorophenyl)methoxy]piperidin-1-yl]sulfonyl-1-pyridin-3-ylethyl]-N-hydroxyformamide
CID 87917009
4-(4-chloro-2-fluorophenoxy)-1-(2-phenylethylsulfonyl)piperidine
CID 175243852
4-(2,4-dichlorophenoxy)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine
CID 72549322
[(2R)-1-[4-(2-chloro-4-fluorophenoxy)piperidin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-yl]carbamic acid
CID 91586480
N-benzyl-3-chloro-N-ethyl-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide
CID 26331767
N-[2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-cyclopropylethyl]-N-hydroxyformamide
CID 16661250
[4-(2,4-dichlorophenoxy)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174800010
N-[1-cyclopropyl-2-[4-[(2-methylquinolin-4-yl)methoxy]piperidin-1-yl]sulfonylethyl]-N-hydroxyformamide
CID 87916888
1-(benzenesulfonyl)-4-(3-chlorophenoxy)piperidine
CID 110358894
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-(2,4-dichlorophenoxy)acetamide
CID 60604909

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2,4-dichlorophenoxy)piperidin-1-yl]sulfonyl-1-phenylethyl]-N-hydroxyformamide?
The IUPAC name of N-[2-[4-(2,4-dichlorophenoxy)piperidin-1-yl]sulfonyl-1-phenylethyl]-N-hydroxyformamide (CID 58685788) is N-[2-[4-(2,4-dichlorophenoxy)piperidin-1-yl]sulfonyl-1-phenylethyl]-N-hydroxyformamide.
What is the SMILES notation for N-[2-[4-(2,4-dichlorophenoxy)piperidin-1-yl]sulfonyl-1-phenylethyl]-N-hydroxyformamide?
The canonical SMILES for N-[2-[4-(2,4-dichlorophenoxy)piperidin-1-yl]sulfonyl-1-phenylethyl]-N-hydroxyformamide is O=CN(O)C(CS(=O)(=O)N1CCC(Oc2ccc(Cl)cc2Cl)CC1)c1ccccc1.
What is the InChIKey of N-[2-[4-(2,4-dichlorophenoxy)piperidin-1-yl]sulfonyl-1-phenylethyl]-N-hydroxyformamide?
The InChIKey is HVYRIPAMKMYLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O5S/c21-16-6-7-20(18(22)12-16)29-17-8-10-23(11-9-17)30(27,28)13-19(24(26)14-25)15-4-2-1-3-5-15/h1-7,12,14,17,19,26H,8-11,13H2.
What are the key properties of N-[2-[4-(2,4-dichlorophenoxy)piperidin-1-yl]sulfonyl-1-phenylethyl]-N-hydroxyformamide?
N-[2-[4-(2,4-dichlorophenoxy)piperidin-1-yl]sulfonyl-1-phenylethyl]-N-hydroxyformamide has a molecular weight of 473.38 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2,4-dichlorophenoxy)piperidin-1-yl]sulfonyl-1-phenylethyl]-N-hydroxyformamide is sourced from PubChem (CID 58685788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).