N-[(3-chloro-4-fluorophenyl)methyl]-1-piperidin-4-ylmethanesulfonamide

C13H18ClFN2O2S — CID 62532424

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-1-piperidin-4-ylmethanesulfonamide
SMILESO=S(=O)(CC1CCNCC1)NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H18ClFN2O2S/c14-12-7-11(1-2-13(12)15)8-17-20(18,19)9-10-3-5-16-6-4-10/h1-2,7,10,16-17H,3-6,8-9H2
InChIKeyJEDWHLPXQUASQD-UHFFFAOYSA-N
MW320.82 g/mol
LogP1.90
Rot. Bonds5

About N-[(3-chloro-4-fluorophenyl)methyl]-1-piperidin-4-ylmethanesulfonamide

N-[(3-chloro-4-fluorophenyl)methyl]-1-piperidin-4-ylmethanesulfonamide (PubChem CID 62532424) has the molecular formula C13H18ClFN2O2S and a molecular weight of 320.82 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-1-piperidin-4-ylmethanesulfonamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-1-piperidin-4-ylmethanesulfonamide
PubChem CID62532424
Molecular FormulaC13H18ClFN2O2S
Molecular Weight320.82 g/mol
Exact Mass320.08
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-1-piperidin-4-ylmethanesulfonamide
SMILESO=S(=O)(CC1CCNCC1)NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H18ClFN2O2S/c14-12-7-11(1-2-13(12)15)8-17-20(18,19)9-10-3-5-16-6-4-10/h1-2,7,10,16-17H,3-6,8-9H2
InChIKeyJEDWHLPXQUASQD-UHFFFAOYSA-N
XLogP1.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3-chloro-4-fluorophenyl)methyl]-1-piperidin-4-ylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-1-piperidin-4-ylmethanesulfonamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-1-piperidin-4-ylmethanesulfonamide (CID 62532424) is N-[(3-chloro-4-fluorophenyl)methyl]-1-piperidin-4-ylmethanesulfonamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-1-piperidin-4-ylmethanesulfonamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-1-piperidin-4-ylmethanesulfonamide is O=S(=O)(CC1CCNCC1)NCc1ccc(F)c(Cl)c1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-1-piperidin-4-ylmethanesulfonamide?
The InChIKey is JEDWHLPXQUASQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O2S/c14-12-7-11(1-2-13(12)15)8-17-20(18,19)9-10-3-5-16-6-4-10/h1-2,7,10,16-17H,3-6,8-9H2.
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-1-piperidin-4-ylmethanesulfonamide?
N-[(3-chloro-4-fluorophenyl)methyl]-1-piperidin-4-ylmethanesulfonamide has a molecular weight of 320.82 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-1-piperidin-4-ylmethanesulfonamide is sourced from PubChem (CID 62532424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).