2-(aminomethyl)-N-(5-bromo-4-fluoro-2-methylphenyl)piperidine-1-sulfonamide

C13H19BrFN3O2S — CID 106087812

IUPAC2-(aminomethyl)-N-(5-bromo-4-fluoro-2-methylphenyl)piperidine-1-sulfonamide
SMILESCc1cc(F)c(Br)cc1NS(=O)(=O)N1CCCCC1CN
InChIInChI=1S/C13H19BrFN3O2S/c1-9-6-12(15)11(14)7-13(9)17-21(19,20)18-5-3-2-4-10(18)8-16/h6-7,10,17H,2-5,8,16H2,1H3
InChIKeyUIYGDFPMOHCDLA-UHFFFAOYSA-N
MW380.28 g/mol
LogP2.37
Rot. Bonds4

About 2-(aminomethyl)-N-(5-bromo-4-fluoro-2-methylphenyl)piperidine-1-sulfonamide

2-(aminomethyl)-N-(5-bromo-4-fluoro-2-methylphenyl)piperidine-1-sulfonamide (PubChem CID 106087812) has the molecular formula C13H19BrFN3O2S and a molecular weight of 380.28 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(5-bromo-4-fluoro-2-methylphenyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(5-bromo-4-fluoro-2-methylphenyl)piperidine-1-sulfonamide
PubChem CID106087812
Molecular FormulaC13H19BrFN3O2S
Molecular Weight380.28 g/mol
Exact Mass379.04
IUPAC Name2-(aminomethyl)-N-(5-bromo-4-fluoro-2-methylphenyl)piperidine-1-sulfonamide
SMILESCc1cc(F)c(Br)cc1NS(=O)(=O)N1CCCCC1CN
InChIInChI=1S/C13H19BrFN3O2S/c1-9-6-12(15)11(14)7-13(9)17-21(19,20)18-5-3-2-4-10(18)8-16/h6-7,10,17H,2-5,8,16H2,1H3
InChIKeyUIYGDFPMOHCDLA-UHFFFAOYSA-N
XLogP2.37
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.28
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(5-bromo-4-fluoro-2-methylphenyl)piperidine-1-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(5-bromo-4-fluoro-2-methylphenyl)piperidine-1-sulfonamide (CID 106087812) is 2-(aminomethyl)-N-(5-bromo-4-fluoro-2-methylphenyl)piperidine-1-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(5-bromo-4-fluoro-2-methylphenyl)piperidine-1-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(5-bromo-4-fluoro-2-methylphenyl)piperidine-1-sulfonamide is Cc1cc(F)c(Br)cc1NS(=O)(=O)N1CCCCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-(5-bromo-4-fluoro-2-methylphenyl)piperidine-1-sulfonamide?
The InChIKey is UIYGDFPMOHCDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrFN3O2S/c1-9-6-12(15)11(14)7-13(9)17-21(19,20)18-5-3-2-4-10(18)8-16/h6-7,10,17H,2-5,8,16H2,1H3.
What are the key properties of 2-(aminomethyl)-N-(5-bromo-4-fluoro-2-methylphenyl)piperidine-1-sulfonamide?
2-(aminomethyl)-N-(5-bromo-4-fluoro-2-methylphenyl)piperidine-1-sulfonamide has a molecular weight of 380.28 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(5-bromo-4-fluoro-2-methylphenyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106087812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).