2-[1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpiperidin-2-yl]ethanol

C13H18ClFN2O3S — CID 43257923

IUPAC2-[1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpiperidin-2-yl]ethanol
SMILESNc1cc(Cl)c(F)c(S(=O)(=O)N2CCCCC2CCO)c1
InChIInChI=1S/C13H18ClFN2O3S/c14-11-7-9(16)8-12(13(11)15)21(19,20)17-5-2-1-3-10(17)4-6-18/h7-8,10,18H,1-6,16H2
InChIKeyUMHHAYIACVDREH-UHFFFAOYSA-N
MW336.82 g/mol
LogP1.99
Rot. Bonds4

About 2-[1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpiperidin-2-yl]ethanol

2-[1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpiperidin-2-yl]ethanol (PubChem CID 43257923) has the molecular formula C13H18ClFN2O3S and a molecular weight of 336.82 g/mol. Its IUPAC name is 2-[1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpiperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpiperidin-2-yl]ethanol
PubChem CID43257923
Molecular FormulaC13H18ClFN2O3S
Molecular Weight336.82 g/mol
Exact Mass336.07
IUPAC Name2-[1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpiperidin-2-yl]ethanol
SMILESNc1cc(Cl)c(F)c(S(=O)(=O)N2CCCCC2CCO)c1
InChIInChI=1S/C13H18ClFN2O3S/c14-11-7-9(16)8-12(13(11)15)21(19,20)17-5-2-1-3-10(17)4-6-18/h7-8,10,18H,1-6,16H2
InChIKeyUMHHAYIACVDREH-UHFFFAOYSA-N
XLogP1.99
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpiperidin-2-yl]ethanol?
The IUPAC name of 2-[1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpiperidin-2-yl]ethanol (CID 43257923) is 2-[1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpiperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpiperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpiperidin-2-yl]ethanol is Nc1cc(Cl)c(F)c(S(=O)(=O)N2CCCCC2CCO)c1.
What is the InChIKey of 2-[1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpiperidin-2-yl]ethanol?
The InChIKey is UMHHAYIACVDREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O3S/c14-11-7-9(16)8-12(13(11)15)21(19,20)17-5-2-1-3-10(17)4-6-18/h7-8,10,18H,1-6,16H2.
What are the key properties of 2-[1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpiperidin-2-yl]ethanol?
2-[1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpiperidin-2-yl]ethanol has a molecular weight of 336.82 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpiperidin-2-yl]ethanol is sourced from PubChem (CID 43257923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).