2-[1-(2-amino-4-chlorophenyl)sulfonylpiperidin-3-yl]ethanol

C13H19ClN2O3S — CID 107211960

IUPAC2-[1-(2-amino-4-chlorophenyl)sulfonylpiperidin-3-yl]ethanol
SMILESNc1cc(Cl)ccc1S(=O)(=O)N1CCCC(CCO)C1
InChIInChI=1S/C13H19ClN2O3S/c14-11-3-4-13(12(15)8-11)20(18,19)16-6-1-2-10(9-16)5-7-17/h3-4,8,10,17H,1-2,5-7,9,15H2
InChIKeySBOLXGFDCJEFAJ-UHFFFAOYSA-N
MW318.83 g/mol
LogP1.71
Rot. Bonds4

About 2-[1-(2-amino-4-chlorophenyl)sulfonylpiperidin-3-yl]ethanol

2-[1-(2-amino-4-chlorophenyl)sulfonylpiperidin-3-yl]ethanol (PubChem CID 107211960) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is 2-[1-(2-amino-4-chlorophenyl)sulfonylpiperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-amino-4-chlorophenyl)sulfonylpiperidin-3-yl]ethanol
PubChem CID107211960
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC Name2-[1-(2-amino-4-chlorophenyl)sulfonylpiperidin-3-yl]ethanol
SMILESNc1cc(Cl)ccc1S(=O)(=O)N1CCCC(CCO)C1
InChIInChI=1S/C13H19ClN2O3S/c14-11-3-4-13(12(15)8-11)20(18,19)16-6-1-2-10(9-16)5-7-17/h3-4,8,10,17H,1-2,5-7,9,15H2
InChIKeySBOLXGFDCJEFAJ-UHFFFAOYSA-N
XLogP1.71
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-amino-4-chlorophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 114796780
2-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]ethanol
CID 62358135
2-[1-(2-aminophenyl)sulfonylpiperidin-3-yl]ethanol
CID 104859249
2-[1-(2,5-dichlorophenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 120727112
2-[1-(5-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 120894317
2-[1-(5-amino-4-bromo-2-methylphenyl)sulfonylpiperidin-3-yl]ethanol
CID 107211984
2-[1-(4-chloro-2-nitrophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 115744905
2-[1-(2-amino-4,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 114796802
2-[1-[(2-amino-4-pyridinyl)sulfonyl]piperidin-3-yl]ethanol
CID 107228635
2-[1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperidin-3-yl]ethanol
CID 107227335
1-(2-amino-5-chlorophenyl)sulfonylpiperidin-3-ol
CID 55021128
2-[1-(2,4-difluorophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 115744856

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-amino-4-chlorophenyl)sulfonylpiperidin-3-yl]ethanol?
The IUPAC name of 2-[1-(2-amino-4-chlorophenyl)sulfonylpiperidin-3-yl]ethanol (CID 107211960) is 2-[1-(2-amino-4-chlorophenyl)sulfonylpiperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(2-amino-4-chlorophenyl)sulfonylpiperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(2-amino-4-chlorophenyl)sulfonylpiperidin-3-yl]ethanol is Nc1cc(Cl)ccc1S(=O)(=O)N1CCCC(CCO)C1.
What is the InChIKey of 2-[1-(2-amino-4-chlorophenyl)sulfonylpiperidin-3-yl]ethanol?
The InChIKey is SBOLXGFDCJEFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c14-11-3-4-13(12(15)8-11)20(18,19)16-6-1-2-10(9-16)5-7-17/h3-4,8,10,17H,1-2,5-7,9,15H2.
What are the key properties of 2-[1-(2-amino-4-chlorophenyl)sulfonylpiperidin-3-yl]ethanol?
2-[1-(2-amino-4-chlorophenyl)sulfonylpiperidin-3-yl]ethanol has a molecular weight of 318.83 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-amino-4-chlorophenyl)sulfonylpiperidin-3-yl]ethanol is sourced from PubChem (CID 107211960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).