1-(2-amino-5-chlorophenyl)sulfonylpiperidin-3-ol

C11H15ClN2O3S — CID 55021128

IUPAC1-(2-amino-5-chlorophenyl)sulfonylpiperidin-3-ol
SMILESNc1ccc(Cl)cc1S(=O)(=O)N1CCCC(O)C1
InChIInChI=1S/C11H15ClN2O3S/c12-8-3-4-10(13)11(6-8)18(16,17)14-5-1-2-9(15)7-14/h3-4,6,9,15H,1-2,5,7,13H2
InChIKeyJJXWPYXUWYUXTO-UHFFFAOYSA-N
MW290.77 g/mol
LogP1.07
Rot. Bonds2

About 1-(2-amino-5-chlorophenyl)sulfonylpiperidin-3-ol

1-(2-amino-5-chlorophenyl)sulfonylpiperidin-3-ol (PubChem CID 55021128) has the molecular formula C11H15ClN2O3S and a molecular weight of 290.77 g/mol. Its IUPAC name is 1-(2-amino-5-chlorophenyl)sulfonylpiperidin-3-ol.

Molecular Properties

Compound Name1-(2-amino-5-chlorophenyl)sulfonylpiperidin-3-ol
PubChem CID55021128
Molecular FormulaC11H15ClN2O3S
Molecular Weight290.77 g/mol
Exact Mass290.05
IUPAC Name1-(2-amino-5-chlorophenyl)sulfonylpiperidin-3-ol
SMILESNc1ccc(Cl)cc1S(=O)(=O)N1CCCC(O)C1
InChIInChI=1S/C11H15ClN2O3S/c12-8-3-4-10(13)11(6-8)18(16,17)14-5-1-2-9(15)7-14/h3-4,6,9,15H,1-2,5,7,13H2
InChIKeyJJXWPYXUWYUXTO-UHFFFAOYSA-N
XLogP1.07
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 51.07
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

1-(3-amino-5-chloro-2-methylphenyl)sulfonylpiperidin-3-ol
CID 114378875
1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperidin-3-ol
CID 55133971
(3S)-1-(5-amino-4-chloro-2-methylphenyl)sulfonylpiperidin-3-ol
CID 107213866
1-(2-amino-5-bromo-4-fluorophenyl)sulfonylpiperidin-3-ol
CID 106491404
(3R)-1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291641
1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 62918645
(3S)-1-(2-amino-5-bromophenyl)sulfonylpyrrolidin-3-ol
CID 107212123
(3R)-1-(2-amino-5-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 94895330
3-amino-4-(3-hydroxypiperidin-1-yl)sulfonylbenzoic acid
CID 81470671
1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-ol
CID 77144746
(3S)-1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-ol
CID 98008354
4-chloro-2-(4-methylsulfonylpiperazin-1-yl)sulfonylaniline
CID 61126558

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-chlorophenyl)sulfonylpiperidin-3-ol?
The IUPAC name of 1-(2-amino-5-chlorophenyl)sulfonylpiperidin-3-ol (CID 55021128) is 1-(2-amino-5-chlorophenyl)sulfonylpiperidin-3-ol.
What is the SMILES notation for 1-(2-amino-5-chlorophenyl)sulfonylpiperidin-3-ol?
The canonical SMILES for 1-(2-amino-5-chlorophenyl)sulfonylpiperidin-3-ol is Nc1ccc(Cl)cc1S(=O)(=O)N1CCCC(O)C1.
What is the InChIKey of 1-(2-amino-5-chlorophenyl)sulfonylpiperidin-3-ol?
The InChIKey is JJXWPYXUWYUXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S/c12-8-3-4-10(13)11(6-8)18(16,17)14-5-1-2-9(15)7-14/h3-4,6,9,15H,1-2,5,7,13H2.
What are the key properties of 1-(2-amino-5-chlorophenyl)sulfonylpiperidin-3-ol?
1-(2-amino-5-chlorophenyl)sulfonylpiperidin-3-ol has a molecular weight of 290.77 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-chlorophenyl)sulfonylpiperidin-3-ol is sourced from PubChem (CID 55021128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).