N-[1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidin-4-ylidene]hydroxylamine

C11H11Cl2FN2O3S — CID 103088337

IUPACN-[1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidin-4-ylidene]hydroxylamine
SMILESO=S(=O)(c1ccc(Cl)c(F)c1Cl)N1CCC(=NO)CC1
InChIInChI=1S/C11H11Cl2FN2O3S/c12-8-1-2-9(10(13)11(8)14)20(18,19)16-5-3-7(15-17)4-6-16/h1-2,17H,3-6H2
InChIKeyPSEOLNVTGVQYDP-UHFFFAOYSA-N
MW341.19 g/mol
LogP2.75
Rot. Bonds2

About N-[1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidin-4-ylidene]hydroxylamine

N-[1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidin-4-ylidene]hydroxylamine (PubChem CID 103088337) has the molecular formula C11H11Cl2FN2O3S and a molecular weight of 341.19 g/mol. Its IUPAC name is N-[1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidin-4-ylidene]hydroxylamine
PubChem CID103088337
Molecular FormulaC11H11Cl2FN2O3S
Molecular Weight341.19 g/mol
Exact Mass339.99
IUPAC NameN-[1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidin-4-ylidene]hydroxylamine
SMILESO=S(=O)(c1ccc(Cl)c(F)c1Cl)N1CCC(=NO)CC1
InChIInChI=1S/C11H11Cl2FN2O3S/c12-8-1-2-9(10(13)11(8)14)20(18,19)16-5-3-7(15-17)4-6-16/h1-2,17H,3-6H2
InChIKeyPSEOLNVTGVQYDP-UHFFFAOYSA-N
XLogP2.75
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.19
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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-[1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidin-4-ylidene]hydroxylamine?
The IUPAC name of N-[1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidin-4-ylidene]hydroxylamine (CID 103088337) is N-[1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidin-4-ylidene]hydroxylamine is O=S(=O)(c1ccc(Cl)c(F)c1Cl)N1CCC(=NO)CC1.
What is the InChIKey of N-[1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidin-4-ylidene]hydroxylamine?
The InChIKey is PSEOLNVTGVQYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2FN2O3S/c12-8-1-2-9(10(13)11(8)14)20(18,19)16-5-3-7(15-17)4-6-16/h1-2,17H,3-6H2.
What are the key properties of N-[1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidin-4-ylidene]hydroxylamine?
N-[1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidin-4-ylidene]hydroxylamine has a molecular weight of 341.19 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 103088337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).