[1-(3-bromo-2-chlorophenyl)sulfonylpiperidin-4-yl]methanamine

C12H16BrClN2O2S — CID 120999452

IUPAC[1-(3-bromo-2-chlorophenyl)sulfonylpiperidin-4-yl]methanamine
SMILESNCC1CCN(S(=O)(=O)c2cccc(Br)c2Cl)CC1
InChIInChI=1S/C12H16BrClN2O2S/c13-10-2-1-3-11(12(10)14)19(17,18)16-6-4-9(8-15)5-7-16/h1-3,9H,4-8,15H2
InChIKeyUERVVPUYGHWPQD-UHFFFAOYSA-N
MW367.70 g/mol
LogP2.46
Rot. Bonds3

About [1-(3-bromo-2-chlorophenyl)sulfonylpiperidin-4-yl]methanamine

[1-(3-bromo-2-chlorophenyl)sulfonylpiperidin-4-yl]methanamine (PubChem CID 120999452) has the molecular formula C12H16BrClN2O2S and a molecular weight of 367.70 g/mol. Its IUPAC name is [1-(3-bromo-2-chlorophenyl)sulfonylpiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(3-bromo-2-chlorophenyl)sulfonylpiperidin-4-yl]methanamine
PubChem CID120999452
Molecular FormulaC12H16BrClN2O2S
Molecular Weight367.70 g/mol
Exact Mass365.98
IUPAC Name[1-(3-bromo-2-chlorophenyl)sulfonylpiperidin-4-yl]methanamine
SMILESNCC1CCN(S(=O)(=O)c2cccc(Br)c2Cl)CC1
InChIInChI=1S/C12H16BrClN2O2S/c13-10-2-1-3-11(12(10)14)19(17,18)16-6-4-9(8-15)5-7-16/h1-3,9H,4-8,15H2
InChIKeyUERVVPUYGHWPQD-UHFFFAOYSA-N
XLogP2.46
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.70
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-bromophenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119963995
[1-(2-bromo-3-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120708440
[1-(2-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972183
4-(bromomethyl)-1-(2-bromophenyl)sulfonylpiperidine
CID 80668441
[1-(3-bromophenyl)sulfonylpiperidin-4-yl]methanamine
CID 43605305
1-(3-bromo-2-fluorophenyl)sulfonylpiperidin-4-amine
CID 120705916
[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine
CID 43605303
[1-[(2,6-dichlorophenyl)methylsulfonyl]piperidin-4-yl]methanamine;hydrochloride
CID 119963921
[1-(2-bromophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
CID 119969035
[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methanamine
CID 43605295
[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119963911
[1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971923

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-2-chlorophenyl)sulfonylpiperidin-4-yl]methanamine?
The IUPAC name of [1-(3-bromo-2-chlorophenyl)sulfonylpiperidin-4-yl]methanamine (CID 120999452) is [1-(3-bromo-2-chlorophenyl)sulfonylpiperidin-4-yl]methanamine.
What is the SMILES notation for [1-(3-bromo-2-chlorophenyl)sulfonylpiperidin-4-yl]methanamine?
The canonical SMILES for [1-(3-bromo-2-chlorophenyl)sulfonylpiperidin-4-yl]methanamine is NCC1CCN(S(=O)(=O)c2cccc(Br)c2Cl)CC1.
What is the InChIKey of [1-(3-bromo-2-chlorophenyl)sulfonylpiperidin-4-yl]methanamine?
The InChIKey is UERVVPUYGHWPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2O2S/c13-10-2-1-3-11(12(10)14)19(17,18)16-6-4-9(8-15)5-7-16/h1-3,9H,4-8,15H2.
What are the key properties of [1-(3-bromo-2-chlorophenyl)sulfonylpiperidin-4-yl]methanamine?
[1-(3-bromo-2-chlorophenyl)sulfonylpiperidin-4-yl]methanamine has a molecular weight of 367.70 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-2-chlorophenyl)sulfonylpiperidin-4-yl]methanamine is sourced from PubChem (CID 120999452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).