2-(aminomethyl)-N-(2,4,5-trichlorophenyl)piperidine-1-sulfonamide

C12H16Cl3N3O2S — CID 106057730

IUPAC2-(aminomethyl)-N-(2,4,5-trichlorophenyl)piperidine-1-sulfonamide
SMILESNCC1CCCCN1S(=O)(=O)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C12H16Cl3N3O2S/c13-9-5-11(15)12(6-10(9)14)17-21(19,20)18-4-2-1-3-8(18)7-16/h5-6,8,17H,1-4,7,16H2
InChIKeyXYVJLAHRMDQGFY-UHFFFAOYSA-N
MW372.71 g/mol
LogP3.12
Rot. Bonds4

About 2-(aminomethyl)-N-(2,4,5-trichlorophenyl)piperidine-1-sulfonamide

2-(aminomethyl)-N-(2,4,5-trichlorophenyl)piperidine-1-sulfonamide (PubChem CID 106057730) has the molecular formula C12H16Cl3N3O2S and a molecular weight of 372.71 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2,4,5-trichlorophenyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2,4,5-trichlorophenyl)piperidine-1-sulfonamide
PubChem CID106057730
Molecular FormulaC12H16Cl3N3O2S
Molecular Weight372.71 g/mol
Exact Mass371.00
IUPAC Name2-(aminomethyl)-N-(2,4,5-trichlorophenyl)piperidine-1-sulfonamide
SMILESNCC1CCCCN1S(=O)(=O)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C12H16Cl3N3O2S/c13-9-5-11(15)12(6-10(9)14)17-21(19,20)18-4-2-1-3-8(18)7-16/h5-6,8,17H,1-4,7,16H2
InChIKeyXYVJLAHRMDQGFY-UHFFFAOYSA-N
XLogP3.12
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.71
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2-(aminomethyl)-N-(2,4,5-trichlorophenyl)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

Related Compounds

2-(aminomethyl)-N-(4-bromo-2-chlorophenyl)piperidine-1-sulfonamide
CID 106030556
2-(aminomethyl)-N-(2,3,5-trifluorophenyl)piperidine-1-sulfonamide
CID 106056268
2-(aminomethyl)-N-(5-bromo-4-fluoro-2-methylphenyl)piperidine-1-sulfonamide
CID 106087812
2-(aminomethyl)-N-(3-fluoro-4-pyridinyl)piperidine-1-sulfonamide
CID 106090138
2-(aminomethyl)-N-(2-ethoxyphenyl)piperidine-1-sulfonamide
CID 106048934
[1-[(3,4-dichlorophenyl)methylsulfonyl]piperidin-2-yl]methanamine
CID 119969410
2-(aminomethyl)-N-thiophen-3-ylpiperidine-1-sulfonamide
CID 114141613
N-(5-bromo-2-chlorophenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106056721
N-(4-bromo-2-chlorophenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106030566
2-(aminomethyl)-N-(1,3-benzodioxol-5-yl)piperidine-1-sulfonamide
CID 106023964
2-(aminomethyl)-N-(4-methoxy-3-methylphenyl)piperidine-1-sulfonamide
CID 106053297
2-(aminomethyl)-N-(4-propylphenyl)piperidine-1-sulfonamide
CID 106026481

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2,4,5-trichlorophenyl)piperidine-1-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(2,4,5-trichlorophenyl)piperidine-1-sulfonamide (CID 106057730) is 2-(aminomethyl)-N-(2,4,5-trichlorophenyl)piperidine-1-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2,4,5-trichlorophenyl)piperidine-1-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(2,4,5-trichlorophenyl)piperidine-1-sulfonamide is NCC1CCCCN1S(=O)(=O)Nc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2-(aminomethyl)-N-(2,4,5-trichlorophenyl)piperidine-1-sulfonamide?
The InChIKey is XYVJLAHRMDQGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl3N3O2S/c13-9-5-11(15)12(6-10(9)14)17-21(19,20)18-4-2-1-3-8(18)7-16/h5-6,8,17H,1-4,7,16H2.
What are the key properties of 2-(aminomethyl)-N-(2,4,5-trichlorophenyl)piperidine-1-sulfonamide?
2-(aminomethyl)-N-(2,4,5-trichlorophenyl)piperidine-1-sulfonamide has a molecular weight of 372.71 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2,4,5-trichlorophenyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106057730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).