2-(aminomethyl)-N-(2-bromo-6-fluorophenyl)piperidine-1-sulfonamide

C12H17BrFN3O2S — CID 106089660

IUPAC2-(aminomethyl)-N-(2-bromo-6-fluorophenyl)piperidine-1-sulfonamide
SMILESNCC1CCCCN1S(=O)(=O)Nc1c(F)cccc1Br
InChIInChI=1S/C12H17BrFN3O2S/c13-10-5-3-6-11(14)12(10)16-20(18,19)17-7-2-1-4-9(17)8-15/h3,5-6,9,16H,1-2,4,7-8,15H2
InChIKeyKFRMHLGGQBNIBU-UHFFFAOYSA-N
MW366.26 g/mol
LogP2.06
Rot. Bonds4

About 2-(aminomethyl)-N-(2-bromo-6-fluorophenyl)piperidine-1-sulfonamide

2-(aminomethyl)-N-(2-bromo-6-fluorophenyl)piperidine-1-sulfonamide (PubChem CID 106089660) has the molecular formula C12H17BrFN3O2S and a molecular weight of 366.26 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-bromo-6-fluorophenyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-bromo-6-fluorophenyl)piperidine-1-sulfonamide
PubChem CID106089660
Molecular FormulaC12H17BrFN3O2S
Molecular Weight366.26 g/mol
Exact Mass365.02
IUPAC Name2-(aminomethyl)-N-(2-bromo-6-fluorophenyl)piperidine-1-sulfonamide
SMILESNCC1CCCCN1S(=O)(=O)Nc1c(F)cccc1Br
InChIInChI=1S/C12H17BrFN3O2S/c13-10-5-3-6-11(14)12(10)16-20(18,19)17-7-2-1-4-9(17)8-15/h3,5-6,9,16H,1-2,4,7-8,15H2
InChIKeyKFRMHLGGQBNIBU-UHFFFAOYSA-N
XLogP2.06
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.26
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-(2,3,5-trifluorophenyl)piperidine-1-sulfonamide
CID 106056268
2-(aminomethyl)-N-(4-bromo-2-chlorophenyl)piperidine-1-sulfonamide
CID 106030556
2-(aminomethyl)-N-thiophen-3-ylpiperidine-1-sulfonamide
CID 114141613
[1-(5-bromo-2,4-difluorophenyl)sulfonylpiperidin-2-yl]methanamine
CID 119969412
2-(aminomethyl)-N-(2,3-dihydro-1H-inden-2-yl)piperidine-1-sulfonamide
CID 106087856
2-(aminomethyl)-N-(2,4,5-trichlorophenyl)piperidine-1-sulfonamide
CID 106057730
2-(aminomethyl)-N-(4-propylphenyl)piperidine-1-sulfonamide
CID 106026481
2-(aminomethyl)-N-(2-ethoxyphenyl)piperidine-1-sulfonamide
CID 106048934
2-(aminomethyl)-N-(1-phenylethyl)piperidine-1-sulfonamide
CID 106036389
2-(aminomethyl)-N-(4-ethoxyphenyl)piperidine-1-sulfonamide
CID 106045444

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-bromo-6-fluorophenyl)piperidine-1-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(2-bromo-6-fluorophenyl)piperidine-1-sulfonamide (CID 106089660) is 2-(aminomethyl)-N-(2-bromo-6-fluorophenyl)piperidine-1-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-bromo-6-fluorophenyl)piperidine-1-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-bromo-6-fluorophenyl)piperidine-1-sulfonamide is NCC1CCCCN1S(=O)(=O)Nc1c(F)cccc1Br.
What is the InChIKey of 2-(aminomethyl)-N-(2-bromo-6-fluorophenyl)piperidine-1-sulfonamide?
The InChIKey is KFRMHLGGQBNIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrFN3O2S/c13-10-5-3-6-11(14)12(10)16-20(18,19)17-7-2-1-4-9(17)8-15/h3,5-6,9,16H,1-2,4,7-8,15H2.
What are the key properties of 2-(aminomethyl)-N-(2-bromo-6-fluorophenyl)piperidine-1-sulfonamide?
2-(aminomethyl)-N-(2-bromo-6-fluorophenyl)piperidine-1-sulfonamide has a molecular weight of 366.26 g/mol, XLogP of 2.06, 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-bromo-6-fluorophenyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106089660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).