2-(4-chlorophenyl)sulfonyl-1-pyridin-2-ylethanamine

C13H13ClN2O2S — CID 82359916

IUPAC2-(4-chlorophenyl)sulfonyl-1-pyridin-2-ylethanamine
SMILESNC(CS(=O)(=O)c1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C13H13ClN2O2S/c14-10-4-6-11(7-5-10)19(17,18)9-12(15)13-3-1-2-8-16-13/h1-8,12H,9,15H2
InChIKeyBZGSJOCTZROTJK-UHFFFAOYSA-N
MW296.78 g/mol
LogP2.21
Rot. Bonds4

About 2-(4-chlorophenyl)sulfonyl-1-pyridin-2-ylethanamine

2-(4-chlorophenyl)sulfonyl-1-pyridin-2-ylethanamine (PubChem CID 82359916) has the molecular formula C13H13ClN2O2S and a molecular weight of 296.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-1-pyridin-2-ylethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-1-pyridin-2-ylethanamine
PubChem CID82359916
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC Name2-(4-chlorophenyl)sulfonyl-1-pyridin-2-ylethanamine
SMILESNC(CS(=O)(=O)c1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C13H13ClN2O2S/c14-10-4-6-11(7-5-10)19(17,18)9-12(15)13-3-1-2-8-16-13/h1-8,12H,9,15H2
InChIKeyBZGSJOCTZROTJK-UHFFFAOYSA-N
XLogP2.21
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethylphenyl)sulfonyl-1-pyridin-2-ylethanamine
CID 82359914
1-pyridin-2-yl-2-thiophen-2-ylsulfonylethanamine
CID 82359917
(2S)-2-amino-2-pyridin-2-ylethanol
CID 55278064
4-chloro-N-pyrimidin-2-ylbenzenesulfonamide
CID 935725
(1S)-1-pyridin-2-ylpropan-1-amine;dihydrochloride
CID 122236499
(2R)-2-amino-2-pyridin-2-ylethanol;hydrochloride
CID 86306039
4-[(S)-(4-chlorophenyl)-pyridin-2-ylmethoxy]benzenesulfonic acid
CID 174689958
2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-(pyridin-2-ylmethylsulfanyl)propanoic acid
CID 23505559
1-(4-chlorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]methanesulfonamide
CID 95968872
(1R)-1-pyridin-2-ylethanesulfonamide
CID 94347246
(2R)-1-(4-chlorophenyl)sulfonylpropan-2-ol
CID 131862935
2-(4-chlorophenyl)-1-pyridin-2-ylethanol
CID 60798834

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-1-pyridin-2-ylethanamine?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-1-pyridin-2-ylethanamine (CID 82359916) is 2-(4-chlorophenyl)sulfonyl-1-pyridin-2-ylethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-1-pyridin-2-ylethanamine?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-1-pyridin-2-ylethanamine is NC(CS(=O)(=O)c1ccc(Cl)cc1)c1ccccn1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-1-pyridin-2-ylethanamine?
The InChIKey is BZGSJOCTZROTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S/c14-10-4-6-11(7-5-10)19(17,18)9-12(15)13-3-1-2-8-16-13/h1-8,12H,9,15H2.
What are the key properties of 2-(4-chlorophenyl)sulfonyl-1-pyridin-2-ylethanamine?
2-(4-chlorophenyl)sulfonyl-1-pyridin-2-ylethanamine has a molecular weight of 296.78 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-1-pyridin-2-ylethanamine is sourced from PubChem (CID 82359916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).