6-amino-3-chloro-2-piperidin-4-ylsulfonylphenol

C11H15ClN2O3S — CID 134594439

IUPAC6-amino-3-chloro-2-piperidin-4-ylsulfonylphenol
SMILESNc1ccc(Cl)c(S(=O)(=O)C2CCNCC2)c1O
InChIInChI=1S/C11H15ClN2O3S/c12-8-1-2-9(13)10(15)11(8)18(16,17)7-3-5-14-6-4-7/h1-2,7,14-15H,3-6,13H2
InChIKeyZOGJFVRRXKBYII-UHFFFAOYSA-N
MW290.77 g/mol
LogP1.15
Rot. Bonds2

About 6-amino-3-chloro-2-piperidin-4-ylsulfonylphenol

6-amino-3-chloro-2-piperidin-4-ylsulfonylphenol (PubChem CID 134594439) has the molecular formula C11H15ClN2O3S and a molecular weight of 290.77 g/mol. Its IUPAC name is 6-amino-3-chloro-2-piperidin-4-ylsulfonylphenol.

Molecular Properties

Compound Name6-amino-3-chloro-2-piperidin-4-ylsulfonylphenol
PubChem CID134594439
Molecular FormulaC11H15ClN2O3S
Molecular Weight290.77 g/mol
Exact Mass290.05
IUPAC Name6-amino-3-chloro-2-piperidin-4-ylsulfonylphenol
SMILESNc1ccc(Cl)c(S(=O)(=O)C2CCNCC2)c1O
InChIInChI=1S/C11H15ClN2O3S/c12-8-1-2-9(13)10(15)11(8)18(16,17)7-3-5-14-6-4-7/h1-2,7,14-15H,3-6,13H2
InChIKeyZOGJFVRRXKBYII-UHFFFAOYSA-N
XLogP1.15
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-chloro-2-piperidin-4-ylsulfonylphenol?
The IUPAC name of 6-amino-3-chloro-2-piperidin-4-ylsulfonylphenol (CID 134594439) is 6-amino-3-chloro-2-piperidin-4-ylsulfonylphenol.
What is the SMILES notation for 6-amino-3-chloro-2-piperidin-4-ylsulfonylphenol?
The canonical SMILES for 6-amino-3-chloro-2-piperidin-4-ylsulfonylphenol is Nc1ccc(Cl)c(S(=O)(=O)C2CCNCC2)c1O.
What is the InChIKey of 6-amino-3-chloro-2-piperidin-4-ylsulfonylphenol?
The InChIKey is ZOGJFVRRXKBYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S/c12-8-1-2-9(13)10(15)11(8)18(16,17)7-3-5-14-6-4-7/h1-2,7,14-15H,3-6,13H2.
What are the key properties of 6-amino-3-chloro-2-piperidin-4-ylsulfonylphenol?
6-amino-3-chloro-2-piperidin-4-ylsulfonylphenol has a molecular weight of 290.77 g/mol, XLogP of 1.15, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-chloro-2-piperidin-4-ylsulfonylphenol is sourced from PubChem (CID 134594439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).