2-(aminomethyl)-N-(4-bromo-2-chlorophenyl)piperidine-1-sulfonamide

C12H17BrClN3O2S — CID 106030556

IUPAC2-(aminomethyl)-N-(4-bromo-2-chlorophenyl)piperidine-1-sulfonamide
SMILESNCC1CCCCN1S(=O)(=O)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C12H17BrClN3O2S/c13-9-4-5-12(11(14)7-9)16-20(18,19)17-6-2-1-3-10(17)8-15/h4-5,7,10,16H,1-3,6,8,15H2
InChIKeyDHNWEIBEGINWEG-UHFFFAOYSA-N
MW382.71 g/mol
LogP2.57
Rot. Bonds4

About 2-(aminomethyl)-N-(4-bromo-2-chlorophenyl)piperidine-1-sulfonamide

2-(aminomethyl)-N-(4-bromo-2-chlorophenyl)piperidine-1-sulfonamide (PubChem CID 106030556) has the molecular formula C12H17BrClN3O2S and a molecular weight of 382.71 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(4-bromo-2-chlorophenyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(4-bromo-2-chlorophenyl)piperidine-1-sulfonamide
PubChem CID106030556
Molecular FormulaC12H17BrClN3O2S
Molecular Weight382.71 g/mol
Exact Mass380.99
IUPAC Name2-(aminomethyl)-N-(4-bromo-2-chlorophenyl)piperidine-1-sulfonamide
SMILESNCC1CCCCN1S(=O)(=O)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C12H17BrClN3O2S/c13-9-4-5-12(11(14)7-9)16-20(18,19)17-6-2-1-3-10(17)8-15/h4-5,7,10,16H,1-3,6,8,15H2
InChIKeyDHNWEIBEGINWEG-UHFFFAOYSA-N
XLogP2.57
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.71
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-chlorophenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106030566
2-(aminomethyl)-N-(2,4,5-trichlorophenyl)piperidine-1-sulfonamide
CID 106057730
N-(5-bromo-2-chlorophenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106056721
2-(aminomethyl)-N-(5-bromo-4-fluoro-2-methylphenyl)piperidine-1-sulfonamide
CID 106087812
[(2R)-1-(5-bromo-2-chlorophenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 124702661
2-(aminomethyl)-N-(2,3,5-trifluorophenyl)piperidine-1-sulfonamide
CID 106056268
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(4-bromo-2-chlorophenyl)acetamide
CID 81493975
2-(aminomethyl)-N-(2-ethoxyphenyl)piperidine-1-sulfonamide
CID 106048934
2-(aminomethyl)-N-(2-bromo-6-fluorophenyl)piperidine-1-sulfonamide
CID 106089660
2-(aminomethyl)-N-(3-fluoro-4-pyridinyl)piperidine-1-sulfonamide
CID 106090138
2-(aminomethyl)-N-thiophen-3-ylpiperidine-1-sulfonamide
CID 114141613
1-(4-bromo-2-chlorophenyl)sulfonyl-2-ethylpiperidine
CID 42999354

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(4-bromo-2-chlorophenyl)piperidine-1-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(4-bromo-2-chlorophenyl)piperidine-1-sulfonamide (CID 106030556) is 2-(aminomethyl)-N-(4-bromo-2-chlorophenyl)piperidine-1-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(4-bromo-2-chlorophenyl)piperidine-1-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(4-bromo-2-chlorophenyl)piperidine-1-sulfonamide is NCC1CCCCN1S(=O)(=O)Nc1ccc(Br)cc1Cl.
What is the InChIKey of 2-(aminomethyl)-N-(4-bromo-2-chlorophenyl)piperidine-1-sulfonamide?
The InChIKey is DHNWEIBEGINWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrClN3O2S/c13-9-4-5-12(11(14)7-9)16-20(18,19)17-6-2-1-3-10(17)8-15/h4-5,7,10,16H,1-3,6,8,15H2.
What are the key properties of 2-(aminomethyl)-N-(4-bromo-2-chlorophenyl)piperidine-1-sulfonamide?
2-(aminomethyl)-N-(4-bromo-2-chlorophenyl)piperidine-1-sulfonamide has a molecular weight of 382.71 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(4-bromo-2-chlorophenyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106030556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).