[1-(5-bromo-2,4-difluorophenyl)sulfonylpiperidin-2-yl]methanamine

C12H15BrF2N2O2S — CID 119969412

IUPAC[1-(5-bromo-2,4-difluorophenyl)sulfonylpiperidin-2-yl]methanamine
SMILESNCC1CCCCN1S(=O)(=O)c1cc(Br)c(F)cc1F
InChIInChI=1S/C12H15BrF2N2O2S/c13-9-5-12(11(15)6-10(9)14)20(18,19)17-4-2-1-3-8(17)7-16/h5-6,8H,1-4,7,16H2
InChIKeyGLIZIFHQRSBFAK-UHFFFAOYSA-N
MW369.23 g/mol
LogP2.23
Rot. Bonds3

About [1-(5-bromo-2,4-difluorophenyl)sulfonylpiperidin-2-yl]methanamine

[1-(5-bromo-2,4-difluorophenyl)sulfonylpiperidin-2-yl]methanamine (PubChem CID 119969412) has the molecular formula C12H15BrF2N2O2S and a molecular weight of 369.23 g/mol. Its IUPAC name is [1-(5-bromo-2,4-difluorophenyl)sulfonylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(5-bromo-2,4-difluorophenyl)sulfonylpiperidin-2-yl]methanamine
PubChem CID119969412
Molecular FormulaC12H15BrF2N2O2S
Molecular Weight369.23 g/mol
Exact Mass368.00
IUPAC Name[1-(5-bromo-2,4-difluorophenyl)sulfonylpiperidin-2-yl]methanamine
SMILESNCC1CCCCN1S(=O)(=O)c1cc(Br)c(F)cc1F
InChIInChI=1S/C12H15BrF2N2O2S/c13-9-5-12(11(15)6-10(9)14)20(18,19)17-4-2-1-3-8(17)7-16/h5-6,8H,1-4,7,16H2
InChIKeyGLIZIFHQRSBFAK-UHFFFAOYSA-N
XLogP2.23
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.23
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969346
[1-(2,4,5-trifluorophenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988783
[1-(2,4-difluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969239
[(2S)-1-(2,5-difluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 124695565
[1-(2,4,6-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969331
[(2S)-1-(2-bromo-5-fluorophenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 124701057
2-(aminomethyl)-N-(5-bromo-4-fluoro-2-methylphenyl)piperidine-1-sulfonamide
CID 106087812
4-bromo-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]sulfonyl-5-fluoroaniline
CID 106491736
1-(4-bromo-2-fluorophenyl)sulfonyl-2-(bromomethyl)piperidine
CID 116530001
[1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-2-yl]methanamine
CID 119969291
[(2S)-1-(2-bromo-5-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 124688419
[1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidin-2-yl]methanamine
CID 113284428

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-2,4-difluorophenyl)sulfonylpiperidin-2-yl]methanamine?
The IUPAC name of [1-(5-bromo-2,4-difluorophenyl)sulfonylpiperidin-2-yl]methanamine (CID 119969412) is [1-(5-bromo-2,4-difluorophenyl)sulfonylpiperidin-2-yl]methanamine.
What is the SMILES notation for [1-(5-bromo-2,4-difluorophenyl)sulfonylpiperidin-2-yl]methanamine?
The canonical SMILES for [1-(5-bromo-2,4-difluorophenyl)sulfonylpiperidin-2-yl]methanamine is NCC1CCCCN1S(=O)(=O)c1cc(Br)c(F)cc1F.
What is the InChIKey of [1-(5-bromo-2,4-difluorophenyl)sulfonylpiperidin-2-yl]methanamine?
The InChIKey is GLIZIFHQRSBFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrF2N2O2S/c13-9-5-12(11(15)6-10(9)14)20(18,19)17-4-2-1-3-8(17)7-16/h5-6,8H,1-4,7,16H2.
What are the key properties of [1-(5-bromo-2,4-difluorophenyl)sulfonylpiperidin-2-yl]methanamine?
[1-(5-bromo-2,4-difluorophenyl)sulfonylpiperidin-2-yl]methanamine has a molecular weight of 369.23 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-2,4-difluorophenyl)sulfonylpiperidin-2-yl]methanamine is sourced from PubChem (CID 119969412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).