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

C11H14BrClN2O3S — CID 55133971

IUPAC1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperidin-3-ol
SMILESNc1cc(Cl)cc(S(=O)(=O)N2CCCC(O)C2)c1Br
InChIInChI=1S/C11H14BrClN2O3S/c12-11-9(14)4-7(13)5-10(11)19(17,18)15-3-1-2-8(16)6-15/h4-5,8,16H,1-3,6,14H2
InChIKeyWNQXRETUBGKDLB-UHFFFAOYSA-N
MW369.67 g/mol
LogP1.83
Rot. Bonds2

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

1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperidin-3-ol (PubChem CID 55133971) has the molecular formula C11H14BrClN2O3S and a molecular weight of 369.67 g/mol. Its IUPAC name is 1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperidin-3-ol.

Molecular Properties

Compound Name1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperidin-3-ol
PubChem CID55133971
Molecular FormulaC11H14BrClN2O3S
Molecular Weight369.67 g/mol
Exact Mass367.96
IUPAC Name1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperidin-3-ol
SMILESNc1cc(Cl)cc(S(=O)(=O)N2CCCC(O)C2)c1Br
InChIInChI=1S/C11H14BrClN2O3S/c12-11-9(14)4-7(13)5-10(11)19(17,18)15-3-1-2-8(16)6-15/h4-5,8,16H,1-3,6,14H2
InChIKeyWNQXRETUBGKDLB-UHFFFAOYSA-N
XLogP1.83
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.67
LogP ≤ 51.83
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-2-bromo-5-chlorophenyl)sulfonylpyrrolidin-3-ol
CID 62956549
1-(3-amino-5-chloro-2-methylphenyl)sulfonylpiperidin-3-ol
CID 114378875
1-(2-amino-5-chlorophenyl)sulfonylpiperidin-3-ol
CID 55021128
2-bromo-5-chloro-3-(3-methoxypiperidin-1-yl)sulfonylaniline
CID 102955319
1-(3-amino-2-bromo-5-chlorophenyl)sulfonyl-3-methylpiperidin-4-ol
CID 114677561
1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-ol
CID 43502998
1-[1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 115964793
1-(3-amino-5-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 103051379
(3S)-1-(5-amino-4-bromo-2-methylphenyl)sulfonylpiperidin-3-ol
CID 107213869
[1-(3-amino-2-bromo-5-chlorophenyl)sulfonylazetidin-3-yl]methanol
CID 107213103
1-(2-amino-5-bromo-4-fluorophenyl)sulfonylpiperidin-3-ol
CID 106491404
(3S)-1-(5-amino-4-chloro-2-methylphenyl)sulfonylpiperidin-3-ol
CID 107213866

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperidin-3-ol?
The IUPAC name of 1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperidin-3-ol (CID 55133971) is 1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperidin-3-ol.
What is the SMILES notation for 1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperidin-3-ol?
The canonical SMILES for 1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperidin-3-ol is Nc1cc(Cl)cc(S(=O)(=O)N2CCCC(O)C2)c1Br.
What is the InChIKey of 1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperidin-3-ol?
The InChIKey is WNQXRETUBGKDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2O3S/c12-11-9(14)4-7(13)5-10(11)19(17,18)15-3-1-2-8(16)6-15/h4-5,8,16H,1-3,6,14H2.
What are the key properties of 1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperidin-3-ol?
1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperidin-3-ol has a molecular weight of 369.67 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperidin-3-ol is sourced from PubChem (CID 55133971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).