4-(aminomethyl)-N-(3-bromo-4-fluorophenyl)piperidine-1-sulfonamide

C12H17BrFN3O2S — CID 106078254

IUPAC4-(aminomethyl)-N-(3-bromo-4-fluorophenyl)piperidine-1-sulfonamide
SMILESNCC1CCN(S(=O)(=O)Nc2ccc(F)c(Br)c2)CC1
InChIInChI=1S/C12H17BrFN3O2S/c13-11-7-10(1-2-12(11)14)16-20(18,19)17-5-3-9(8-15)4-6-17/h1-2,7,9,16H,3-6,8,15H2
InChIKeyBLPDZBHWRGAQEU-UHFFFAOYSA-N
MW366.26 g/mol
LogP1.92
Rot. Bonds4

About 4-(aminomethyl)-N-(3-bromo-4-fluorophenyl)piperidine-1-sulfonamide

4-(aminomethyl)-N-(3-bromo-4-fluorophenyl)piperidine-1-sulfonamide (PubChem CID 106078254) has the molecular formula C12H17BrFN3O2S and a molecular weight of 366.26 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(3-bromo-4-fluorophenyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(3-bromo-4-fluorophenyl)piperidine-1-sulfonamide
PubChem CID106078254
Molecular FormulaC12H17BrFN3O2S
Molecular Weight366.26 g/mol
Exact Mass365.02
IUPAC Name4-(aminomethyl)-N-(3-bromo-4-fluorophenyl)piperidine-1-sulfonamide
SMILESNCC1CCN(S(=O)(=O)Nc2ccc(F)c(Br)c2)CC1
InChIInChI=1S/C12H17BrFN3O2S/c13-11-7-10(1-2-12(11)14)16-20(18,19)17-5-3-9(8-15)4-6-17/h1-2,7,9,16H,3-6,8,15H2
InChIKeyBLPDZBHWRGAQEU-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(4-bromo-2,5-difluorophenyl)piperidine-1-sulfonamide
CID 106088800
N-(3-bromo-4-fluorophenyl)pyrrolidine-1-sulfonamide
CID 115663199
4-(aminomethyl)-N-(1,3-benzodioxol-5-yl)piperidine-1-sulfonamide
CID 106023610
N-(3,4-difluorophenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106060062
N-[3-(aminomethyl)-4-fluorophenyl]-4-methylpiperidine-1-sulfonamide
CID 62316606
4-(aminomethyl)-N-(2-methyl-4-pyridinyl)piperidine-1-sulfonamide
CID 106071212
4-(aminomethyl)-N-(2,5-dichlorophenyl)piperidine-1-sulfonamide
CID 106037007
N-(3-bromo-4-methylphenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106064498
N-(4-fluoro-3-methylphenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106056160
4-(aminomethyl)-N-thiophen-3-ylpiperidine-1-sulfonamide
CID 106069875
4-(aminomethyl)-N-(5-methyl-3-pyridinyl)piperidine-1-sulfonamide
CID 106087973
4-(aminomethyl)-N-(2-fluoro-6-methylphenyl)piperidine-1-sulfonamide
CID 106083694

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(3-bromo-4-fluorophenyl)piperidine-1-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(3-bromo-4-fluorophenyl)piperidine-1-sulfonamide (CID 106078254) is 4-(aminomethyl)-N-(3-bromo-4-fluorophenyl)piperidine-1-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(3-bromo-4-fluorophenyl)piperidine-1-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(3-bromo-4-fluorophenyl)piperidine-1-sulfonamide is NCC1CCN(S(=O)(=O)Nc2ccc(F)c(Br)c2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-(3-bromo-4-fluorophenyl)piperidine-1-sulfonamide?
The InChIKey is BLPDZBHWRGAQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrFN3O2S/c13-11-7-10(1-2-12(11)14)16-20(18,19)17-5-3-9(8-15)4-6-17/h1-2,7,9,16H,3-6,8,15H2.
What are the key properties of 4-(aminomethyl)-N-(3-bromo-4-fluorophenyl)piperidine-1-sulfonamide?
4-(aminomethyl)-N-(3-bromo-4-fluorophenyl)piperidine-1-sulfonamide has a molecular weight of 366.26 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(3-bromo-4-fluorophenyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106078254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).