1-(5-bromo-2-chlorophenyl)sulfonylpiperidin-4-amine

C11H14BrClN2O2S — CID 119959333

IUPAC1-(5-bromo-2-chlorophenyl)sulfonylpiperidin-4-amine
SMILESNC1CCN(S(=O)(=O)c2cc(Br)ccc2Cl)CC1
InChIInChI=1S/C11H14BrClN2O2S/c12-8-1-2-10(13)11(7-8)18(16,17)15-5-3-9(14)4-6-15/h1-2,7,9H,3-6,14H2
InChIKeyTVIVSMLGZSSJBF-UHFFFAOYSA-N
MW353.67 g/mol
LogP2.21
Rot. Bonds2

About 1-(5-bromo-2-chlorophenyl)sulfonylpiperidin-4-amine

1-(5-bromo-2-chlorophenyl)sulfonylpiperidin-4-amine (PubChem CID 119959333) has the molecular formula C11H14BrClN2O2S and a molecular weight of 353.67 g/mol. Its IUPAC name is 1-(5-bromo-2-chlorophenyl)sulfonylpiperidin-4-amine.

Molecular Properties

Compound Name1-(5-bromo-2-chlorophenyl)sulfonylpiperidin-4-amine
PubChem CID119959333
Molecular FormulaC11H14BrClN2O2S
Molecular Weight353.67 g/mol
Exact Mass351.96
IUPAC Name1-(5-bromo-2-chlorophenyl)sulfonylpiperidin-4-amine
SMILESNC1CCN(S(=O)(=O)c2cc(Br)ccc2Cl)CC1
InChIInChI=1S/C11H14BrClN2O2S/c12-8-1-2-10(13)11(7-8)18(16,17)15-5-3-9(14)4-6-15/h1-2,7,9H,3-6,14H2
InChIKeyTVIVSMLGZSSJBF-UHFFFAOYSA-N
XLogP2.21
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.67
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-amino-2-chlorophenyl)sulfonylpiperidin-4-amine
CID 164885281
1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-4-amine
CID 115752093
1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959277
1-(4-bromo-2-methylphenyl)sulfonylpiperidin-4-amine
CID 120705873
1-(2-chloro-5-nitrophenyl)sulfonylpiperidin-4-amine
CID 29034322
(3S)-1-(5-bromo-2-methylphenyl)sulfonylpyrrolidin-3-amine
CID 94340271
1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959179
1-(4-bromo-2-chlorophenyl)sulfonylazetidin-3-amine
CID 65244581
[1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971923
[(2R)-1-(5-bromo-2-chlorophenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 124702661
1-(2,5-dibromophenyl)sulfonyl-4-ethylpiperidine
CID 47306024
1-(4-bromo-2-fluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120708382

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chlorophenyl)sulfonylpiperidin-4-amine?
The IUPAC name of 1-(5-bromo-2-chlorophenyl)sulfonylpiperidin-4-amine (CID 119959333) is 1-(5-bromo-2-chlorophenyl)sulfonylpiperidin-4-amine.
What is the SMILES notation for 1-(5-bromo-2-chlorophenyl)sulfonylpiperidin-4-amine?
The canonical SMILES for 1-(5-bromo-2-chlorophenyl)sulfonylpiperidin-4-amine is NC1CCN(S(=O)(=O)c2cc(Br)ccc2Cl)CC1.
What is the InChIKey of 1-(5-bromo-2-chlorophenyl)sulfonylpiperidin-4-amine?
The InChIKey is TVIVSMLGZSSJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2O2S/c12-8-1-2-10(13)11(7-8)18(16,17)15-5-3-9(14)4-6-15/h1-2,7,9H,3-6,14H2.
What are the key properties of 1-(5-bromo-2-chlorophenyl)sulfonylpiperidin-4-amine?
1-(5-bromo-2-chlorophenyl)sulfonylpiperidin-4-amine has a molecular weight of 353.67 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-chlorophenyl)sulfonylpiperidin-4-amine is sourced from PubChem (CID 119959333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).