1-(2-bromo-6-chlorophenyl)sulfonylpiperidin-3-amine

C11H14BrClN2O2S — CID 120998816

IUPAC1-(2-bromo-6-chlorophenyl)sulfonylpiperidin-3-amine
SMILESNC1CCCN(S(=O)(=O)c2c(Cl)cccc2Br)C1
InChIInChI=1S/C11H14BrClN2O2S/c12-9-4-1-5-10(13)11(9)18(16,17)15-6-2-3-8(14)7-15/h1,4-5,8H,2-3,6-7,14H2
InChIKeyZXVLLTYBJXVSRC-UHFFFAOYSA-N
MW353.67 g/mol
LogP2.21
Rot. Bonds2

About 1-(2-bromo-6-chlorophenyl)sulfonylpiperidin-3-amine

1-(2-bromo-6-chlorophenyl)sulfonylpiperidin-3-amine (PubChem CID 120998816) has the molecular formula C11H14BrClN2O2S and a molecular weight of 353.67 g/mol. Its IUPAC name is 1-(2-bromo-6-chlorophenyl)sulfonylpiperidin-3-amine.

Molecular Properties

Compound Name1-(2-bromo-6-chlorophenyl)sulfonylpiperidin-3-amine
PubChem CID120998816
Molecular FormulaC11H14BrClN2O2S
Molecular Weight353.67 g/mol
Exact Mass351.96
IUPAC Name1-(2-bromo-6-chlorophenyl)sulfonylpiperidin-3-amine
SMILESNC1CCCN(S(=O)(=O)c2c(Cl)cccc2Br)C1
InChIInChI=1S/C11H14BrClN2O2S/c12-9-4-1-5-10(13)11(9)18(16,17)15-6-2-3-8(14)7-15/h1,4-5,8H,2-3,6-7,14H2
InChIKeyZXVLLTYBJXVSRC-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

(3S)-1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-amine
CID 94340426
1-[1-(2-bromo-6-chlorophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 120999029
1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971606
1-(2-chlorophenyl)sulfonylpiperidin-3-amine
CID 43123365
1-(2-chlorophenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959822
1-(2-bromo-6-chlorophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 114269255
1-(4-bromo-2,3-dichlorophenyl)sulfonylpiperidin-3-amine
CID 120706112
1-(2-bromo-4,6-difluorophenyl)sulfonylpiperidin-3-amine
CID 43605515
1-(4-bromo-5-chloro-2-fluorophenyl)sulfonylpiperidin-3-amine
CID 120706061
1-(4-bromo-5-chloro-2-fluorophenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120706060
1-(2-bromo-3-methylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959471
1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-3-amine
CID 43605392

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-chlorophenyl)sulfonylpiperidin-3-amine?
The IUPAC name of 1-(2-bromo-6-chlorophenyl)sulfonylpiperidin-3-amine (CID 120998816) is 1-(2-bromo-6-chlorophenyl)sulfonylpiperidin-3-amine.
What is the SMILES notation for 1-(2-bromo-6-chlorophenyl)sulfonylpiperidin-3-amine?
The canonical SMILES for 1-(2-bromo-6-chlorophenyl)sulfonylpiperidin-3-amine is NC1CCCN(S(=O)(=O)c2c(Cl)cccc2Br)C1.
What is the InChIKey of 1-(2-bromo-6-chlorophenyl)sulfonylpiperidin-3-amine?
The InChIKey is ZXVLLTYBJXVSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2O2S/c12-9-4-1-5-10(13)11(9)18(16,17)15-6-2-3-8(14)7-15/h1,4-5,8H,2-3,6-7,14H2.
What are the key properties of 1-(2-bromo-6-chlorophenyl)sulfonylpiperidin-3-amine?
1-(2-bromo-6-chlorophenyl)sulfonylpiperidin-3-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-(2-bromo-6-chlorophenyl)sulfonylpiperidin-3-amine is sourced from PubChem (CID 120998816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).