N-(3,5-dichloro-4-fluorophenyl)-1-piperidin-4-ylmethanesulfonamide

C12H15Cl2FN2O2S — CID 107575670

IUPACN-(3,5-dichloro-4-fluorophenyl)-1-piperidin-4-ylmethanesulfonamide
SMILESO=S(=O)(CC1CCNCC1)Nc1cc(Cl)c(F)c(Cl)c1
InChIInChI=1S/C12H15Cl2FN2O2S/c13-10-5-9(6-11(14)12(10)15)17-20(18,19)7-8-1-3-16-4-2-8/h5-6,8,16-17H,1-4,7H2
InChIKeyUNDPQOXYUXCCSG-UHFFFAOYSA-N
MW341.24 g/mol
LogP2.87
Rot. Bonds4

About N-(3,5-dichloro-4-fluorophenyl)-1-piperidin-4-ylmethanesulfonamide

N-(3,5-dichloro-4-fluorophenyl)-1-piperidin-4-ylmethanesulfonamide (PubChem CID 107575670) has the molecular formula C12H15Cl2FN2O2S and a molecular weight of 341.24 g/mol. Its IUPAC name is N-(3,5-dichloro-4-fluorophenyl)-1-piperidin-4-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-fluorophenyl)-1-piperidin-4-ylmethanesulfonamide
PubChem CID107575670
Molecular FormulaC12H15Cl2FN2O2S
Molecular Weight341.24 g/mol
Exact Mass340.02
IUPAC NameN-(3,5-dichloro-4-fluorophenyl)-1-piperidin-4-ylmethanesulfonamide
SMILESO=S(=O)(CC1CCNCC1)Nc1cc(Cl)c(F)c(Cl)c1
InChIInChI=1S/C12H15Cl2FN2O2S/c13-10-5-9(6-11(14)12(10)15)17-20(18,19)7-8-1-3-16-4-2-8/h5-6,8,16-17H,1-4,7H2
InChIKeyUNDPQOXYUXCCSG-UHFFFAOYSA-N
XLogP2.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.24
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-fluorophenyl)-1-piperidin-4-ylmethanesulfonamide?
The IUPAC name of N-(3,5-dichloro-4-fluorophenyl)-1-piperidin-4-ylmethanesulfonamide (CID 107575670) is N-(3,5-dichloro-4-fluorophenyl)-1-piperidin-4-ylmethanesulfonamide.
What is the SMILES notation for N-(3,5-dichloro-4-fluorophenyl)-1-piperidin-4-ylmethanesulfonamide?
The canonical SMILES for N-(3,5-dichloro-4-fluorophenyl)-1-piperidin-4-ylmethanesulfonamide is O=S(=O)(CC1CCNCC1)Nc1cc(Cl)c(F)c(Cl)c1.
What is the InChIKey of N-(3,5-dichloro-4-fluorophenyl)-1-piperidin-4-ylmethanesulfonamide?
The InChIKey is UNDPQOXYUXCCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2FN2O2S/c13-10-5-9(6-11(14)12(10)15)17-20(18,19)7-8-1-3-16-4-2-8/h5-6,8,16-17H,1-4,7H2.
What are the key properties of N-(3,5-dichloro-4-fluorophenyl)-1-piperidin-4-ylmethanesulfonamide?
N-(3,5-dichloro-4-fluorophenyl)-1-piperidin-4-ylmethanesulfonamide has a molecular weight of 341.24 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-fluorophenyl)-1-piperidin-4-ylmethanesulfonamide is sourced from PubChem (CID 107575670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).