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

C12H16BrF2N3O2S — CID 106088800

IUPAC4-(aminomethyl)-N-(4-bromo-2,5-difluorophenyl)piperidine-1-sulfonamide
SMILESNCC1CCN(S(=O)(=O)Nc2cc(F)c(Br)cc2F)CC1
InChIInChI=1S/C12H16BrF2N3O2S/c13-9-5-11(15)12(6-10(9)14)17-21(19,20)18-3-1-8(7-16)2-4-18/h5-6,8,17H,1-4,7,16H2
InChIKeyXRZHAKSAYHZWGM-UHFFFAOYSA-N
MW384.25 g/mol
LogP2.05
Rot. Bonds4

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

4-(aminomethyl)-N-(4-bromo-2,5-difluorophenyl)piperidine-1-sulfonamide (PubChem CID 106088800) has the molecular formula C12H16BrF2N3O2S and a molecular weight of 384.25 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(4-bromo-2,5-difluorophenyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(4-bromo-2,5-difluorophenyl)piperidine-1-sulfonamide
PubChem CID106088800
Molecular FormulaC12H16BrF2N3O2S
Molecular Weight384.25 g/mol
Exact Mass383.01
IUPAC Name4-(aminomethyl)-N-(4-bromo-2,5-difluorophenyl)piperidine-1-sulfonamide
SMILESNCC1CCN(S(=O)(=O)Nc2cc(F)c(Br)cc2F)CC1
InChIInChI=1S/C12H16BrF2N3O2S/c13-9-5-11(15)12(6-10(9)14)17-21(19,20)18-3-1-8(7-16)2-4-18/h5-6,8,17H,1-4,7,16H2
InChIKeyXRZHAKSAYHZWGM-UHFFFAOYSA-N
XLogP2.05
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.25
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

Related Compounds

4-(aminomethyl)-N-(3-bromo-4-fluorophenyl)piperidine-1-sulfonamide
CID 106078254
4-(aminomethyl)-N-(2,5-dichlorophenyl)piperidine-1-sulfonamide
CID 106037007
[1-(4-bromo-3-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 103828949
4-(aminomethyl)-N-(2-fluoro-6-methylphenyl)piperidine-1-sulfonamide
CID 106083694
4-(aminomethyl)-N-(3-bromo-2-pyridinyl)piperidine-1-sulfonamide
CID 106062105
[1-(2-bromo-4,6-difluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 62063051
4-(aminomethyl)-N-(5-methyl-3-pyridinyl)piperidine-1-sulfonamide
CID 106087973
N-(5-bromo-4-fluoro-2-methylphenyl)piperidine-1-sulfonamide
CID 107592686
2-(aminomethyl)-N-(5-bromo-4-fluoro-2-methylphenyl)piperidine-1-sulfonamide
CID 106087812
4-(aminomethyl)-N-(1,3-benzodioxol-5-yl)piperidine-1-sulfonamide
CID 106023610
[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methanamine
CID 43605295
4-(aminomethyl)-N-thiophen-3-ylpiperidine-1-sulfonamide
CID 106069875

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(4-bromo-2,5-difluorophenyl)piperidine-1-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(4-bromo-2,5-difluorophenyl)piperidine-1-sulfonamide (CID 106088800) is 4-(aminomethyl)-N-(4-bromo-2,5-difluorophenyl)piperidine-1-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(4-bromo-2,5-difluorophenyl)piperidine-1-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(4-bromo-2,5-difluorophenyl)piperidine-1-sulfonamide is NCC1CCN(S(=O)(=O)Nc2cc(F)c(Br)cc2F)CC1.
What is the InChIKey of 4-(aminomethyl)-N-(4-bromo-2,5-difluorophenyl)piperidine-1-sulfonamide?
The InChIKey is XRZHAKSAYHZWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrF2N3O2S/c13-9-5-11(15)12(6-10(9)14)17-21(19,20)18-3-1-8(7-16)2-4-18/h5-6,8,17H,1-4,7,16H2.
What are the key properties of 4-(aminomethyl)-N-(4-bromo-2,5-difluorophenyl)piperidine-1-sulfonamide?
4-(aminomethyl)-N-(4-bromo-2,5-difluorophenyl)piperidine-1-sulfonamide has a molecular weight of 384.25 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(4-bromo-2,5-difluorophenyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106088800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).