4-(aminomethyl)-4-(2,3-difluorophenyl)piperidine-1-sulfonamide

C12H17F2N3O2S — CID 67504609

IUPAC4-(aminomethyl)-4-(2,3-difluorophenyl)piperidine-1-sulfonamide
SMILESNCC1(c2cccc(F)c2F)CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C12H17F2N3O2S/c13-10-3-1-2-9(11(10)14)12(8-15)4-6-17(7-5-12)20(16,18)19/h1-3H,4-8,15H2,(H2,16,18,19)
InChIKeyOWJVGDFQEXQIHX-UHFFFAOYSA-N
MW305.35 g/mol
LogP0.46
Rot. Bonds3

About 4-(aminomethyl)-4-(2,3-difluorophenyl)piperidine-1-sulfonamide

4-(aminomethyl)-4-(2,3-difluorophenyl)piperidine-1-sulfonamide (PubChem CID 67504609) has the molecular formula C12H17F2N3O2S and a molecular weight of 305.35 g/mol. Its IUPAC name is 4-(aminomethyl)-4-(2,3-difluorophenyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-4-(2,3-difluorophenyl)piperidine-1-sulfonamide
PubChem CID67504609
Molecular FormulaC12H17F2N3O2S
Molecular Weight305.35 g/mol
Exact Mass305.10
IUPAC Name4-(aminomethyl)-4-(2,3-difluorophenyl)piperidine-1-sulfonamide
SMILESNCC1(c2cccc(F)c2F)CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C12H17F2N3O2S/c13-10-3-1-2-9(11(10)14)12(8-15)4-6-17(7-5-12)20(16,18)19/h1-3H,4-8,15H2,(H2,16,18,19)
InChIKeyOWJVGDFQEXQIHX-UHFFFAOYSA-N
XLogP0.46
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(aminomethyl)-4-(2,3-difluorophenyl)piperidine-1-sulfonamide 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 4-(aminomethyl)-4-(2,3-difluorophenyl)piperidine-1-sulfonamide?
The IUPAC name of 4-(aminomethyl)-4-(2,3-difluorophenyl)piperidine-1-sulfonamide (CID 67504609) is 4-(aminomethyl)-4-(2,3-difluorophenyl)piperidine-1-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-4-(2,3-difluorophenyl)piperidine-1-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-4-(2,3-difluorophenyl)piperidine-1-sulfonamide is NCC1(c2cccc(F)c2F)CCN(S(N)(=O)=O)CC1.
What is the InChIKey of 4-(aminomethyl)-4-(2,3-difluorophenyl)piperidine-1-sulfonamide?
The InChIKey is OWJVGDFQEXQIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3O2S/c13-10-3-1-2-9(11(10)14)12(8-15)4-6-17(7-5-12)20(16,18)19/h1-3H,4-8,15H2,(H2,16,18,19).
What are the key properties of 4-(aminomethyl)-4-(2,3-difluorophenyl)piperidine-1-sulfonamide?
4-(aminomethyl)-4-(2,3-difluorophenyl)piperidine-1-sulfonamide has a molecular weight of 305.35 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-4-(2,3-difluorophenyl)piperidine-1-sulfonamide is sourced from PubChem (CID 67504609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).