(1S)-1-[(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanamine

C13H18ClFN2O2S — CID 124570360

IUPAC(1S)-1-[(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanamine
SMILESC[C@H](N)[C@@H]1CCCCN1S(=O)(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C13H18ClFN2O2S/c1-9(16)12-4-2-3-7-17(12)20(18,19)13-8-10(15)5-6-11(13)14/h5-6,8-9,12H,2-4,7,16H2,1H3/t9-,12-/m0/s1
InChIKeyBHDKOQMADQEVBE-CABZTGNLSA-N
MW320.82 g/mol
LogP2.37
Rot. Bonds3

About (1S)-1-[(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanamine

(1S)-1-[(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanamine (PubChem CID 124570360) has the molecular formula C13H18ClFN2O2S and a molecular weight of 320.82 g/mol. Its IUPAC name is (1S)-1-[(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanamine
PubChem CID124570360
Molecular FormulaC13H18ClFN2O2S
Molecular Weight320.82 g/mol
Exact Mass320.08
IUPAC Name(1S)-1-[(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanamine
SMILESC[C@H](N)[C@@H]1CCCCN1S(=O)(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C13H18ClFN2O2S/c1-9(16)12-4-2-3-7-17(12)20(18,19)13-8-10(15)5-6-11(13)14/h5-6,8-9,12H,2-4,7,16H2,1H3/t9-,12-/m0/s1
InChIKeyBHDKOQMADQEVBE-CABZTGNLSA-N
XLogP2.37
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanol
CID 84590364
1-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965432
1-(2-chloro-5-fluorophenyl)sulfonylazepan-2-amine
CID 105400292
1-[1-(4-bromo-5-chloro-2-fluorophenyl)sulfonylpiperidin-2-yl]ethanamine
CID 120762879
1-[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965265
1-[1-(2,3,4-trifluorophenyl)sulfonylpiperidin-2-yl]ethanamine
CID 63255176
1-(2-chloro-5-fluorophenyl)sulfonylpiperidine-2-carbaldehyde
CID 105400762
[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 115752536
1-[1-(2,3-difluorophenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965238
(1S)-1-[(2S)-1-(2-methylsulfonylphenyl)sulfonylpiperidin-2-yl]ethanamine
CID 124691045
2-[(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]acetamide
CID 95632899
1-[1-(3-fluoro-5-methylphenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965497

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanamine?
The IUPAC name of (1S)-1-[(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanamine (CID 124570360) is (1S)-1-[(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanamine.
What is the SMILES notation for (1S)-1-[(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanamine?
The canonical SMILES for (1S)-1-[(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanamine is C[C@H](N)[C@@H]1CCCCN1S(=O)(=O)c1cc(F)ccc1Cl.
What is the InChIKey of (1S)-1-[(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanamine?
The InChIKey is BHDKOQMADQEVBE-CABZTGNLSA-N. The full InChI is InChI=1S/C13H18ClFN2O2S/c1-9(16)12-4-2-3-7-17(12)20(18,19)13-8-10(15)5-6-11(13)14/h5-6,8-9,12H,2-4,7,16H2,1H3/t9-,12-/m0/s1.
What are the key properties of (1S)-1-[(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanamine?
(1S)-1-[(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanamine has a molecular weight of 320.82 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanamine is sourced from PubChem (CID 124570360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).