1-(3-bromo-2-fluorophenyl)sulfonylpiperidin-4-amine

C11H14BrFN2O2S — CID 120705916

IUPAC1-(3-bromo-2-fluorophenyl)sulfonylpiperidin-4-amine
SMILESNC1CCN(S(=O)(=O)c2cccc(Br)c2F)CC1
InChIInChI=1S/C11H14BrFN2O2S/c12-9-2-1-3-10(11(9)13)18(16,17)15-6-4-8(14)5-7-15/h1-3,8H,4-7,14H2
InChIKeyHWBMMHDIEORDIV-UHFFFAOYSA-N
MW337.21 g/mol
LogP1.70
Rot. Bonds2

About 1-(3-bromo-2-fluorophenyl)sulfonylpiperidin-4-amine

1-(3-bromo-2-fluorophenyl)sulfonylpiperidin-4-amine (PubChem CID 120705916) has the molecular formula C11H14BrFN2O2S and a molecular weight of 337.21 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)sulfonylpiperidin-4-amine.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)sulfonylpiperidin-4-amine
PubChem CID120705916
Molecular FormulaC11H14BrFN2O2S
Molecular Weight337.21 g/mol
Exact Mass335.99
IUPAC Name1-(3-bromo-2-fluorophenyl)sulfonylpiperidin-4-amine
SMILESNC1CCN(S(=O)(=O)c2cccc(Br)c2F)CC1
InChIInChI=1S/C11H14BrFN2O2S/c12-9-2-1-3-10(11(9)13)18(16,17)15-6-4-8(14)5-7-15/h1-3,8H,4-7,14H2
InChIKeyHWBMMHDIEORDIV-UHFFFAOYSA-N
XLogP1.70
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)sulfonylpiperidin-4-amine?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)sulfonylpiperidin-4-amine (CID 120705916) is 1-(3-bromo-2-fluorophenyl)sulfonylpiperidin-4-amine.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)sulfonylpiperidin-4-amine?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)sulfonylpiperidin-4-amine is NC1CCN(S(=O)(=O)c2cccc(Br)c2F)CC1.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)sulfonylpiperidin-4-amine?
The InChIKey is HWBMMHDIEORDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O2S/c12-9-2-1-3-10(11(9)13)18(16,17)15-6-4-8(14)5-7-15/h1-3,8H,4-7,14H2.
What are the key properties of 1-(3-bromo-2-fluorophenyl)sulfonylpiperidin-4-amine?
1-(3-bromo-2-fluorophenyl)sulfonylpiperidin-4-amine has a molecular weight of 337.21 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluorophenyl)sulfonylpiperidin-4-amine is sourced from PubChem (CID 120705916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).