(3S)-1-(4-bromo-2-chlorophenyl)sulfonylpiperidin-3-ol

C11H13BrClNO3S — CID 107225177

IUPAC(3S)-1-(4-bromo-2-chlorophenyl)sulfonylpiperidin-3-ol
SMILESO=S(=O)(c1ccc(Br)cc1Cl)N1CCC[C@H](O)C1
InChIInChI=1S/C11H13BrClNO3S/c12-8-3-4-11(10(13)6-8)18(16,17)14-5-1-2-9(15)7-14/h3-4,6,9,15H,1-2,5,7H2/t9-/m0/s1
InChIKeySUOGCDSNHYTRAN-VIFPVBQESA-N
MW354.65 g/mol
LogP2.25
Rot. Bonds2

About (3S)-1-(4-bromo-2-chlorophenyl)sulfonylpiperidin-3-ol

(3S)-1-(4-bromo-2-chlorophenyl)sulfonylpiperidin-3-ol (PubChem CID 107225177) has the molecular formula C11H13BrClNO3S and a molecular weight of 354.65 g/mol. Its IUPAC name is (3S)-1-(4-bromo-2-chlorophenyl)sulfonylpiperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(4-bromo-2-chlorophenyl)sulfonylpiperidin-3-ol
PubChem CID107225177
Molecular FormulaC11H13BrClNO3S
Molecular Weight354.65 g/mol
Exact Mass352.95
IUPAC Name(3S)-1-(4-bromo-2-chlorophenyl)sulfonylpiperidin-3-ol
SMILESO=S(=O)(c1ccc(Br)cc1Cl)N1CCC[C@H](O)C1
InChIInChI=1S/C11H13BrClNO3S/c12-8-3-4-11(10(13)6-8)18(16,17)14-5-1-2-9(15)7-14/h3-4,6,9,15H,1-2,5,7H2/t9-/m0/s1
InChIKeySUOGCDSNHYTRAN-VIFPVBQESA-N
XLogP2.25
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.65
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-1-(4-bromo-2-chlorophenyl)sulfonylpiperidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromo-2-chlorophenyl)sulfonyl-4-methylazepane
CID 62044969
1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-ol
CID 77144746
(3S)-1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-ol
CID 98008354
1-(4-bromo-2-chlorophenyl)sulfonyl-3-pyrrolidin-1-ylpyrrolidine
CID 62959424
ethyl 1-(4-bromo-2-chlorophenyl)sulfonylpiperidine-3-carboxylate
CID 42997517
(3R)-1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 66291100
[1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971923
1-(4-bromo-2-chlorophenyl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide
CID 77038531
1-(4-bromo-2-chlorophenyl)sulfonylazetidin-3-amine
CID 65244581
1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperidin-3-ol
CID 55133971
1-(4-bromo-2-chlorophenyl)sulfonyl-4-tert-butylpiperidine
CID 63420879
1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 43084223

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-bromo-2-chlorophenyl)sulfonylpiperidin-3-ol?
The IUPAC name of (3S)-1-(4-bromo-2-chlorophenyl)sulfonylpiperidin-3-ol (CID 107225177) is (3S)-1-(4-bromo-2-chlorophenyl)sulfonylpiperidin-3-ol.
What is the SMILES notation for (3S)-1-(4-bromo-2-chlorophenyl)sulfonylpiperidin-3-ol?
The canonical SMILES for (3S)-1-(4-bromo-2-chlorophenyl)sulfonylpiperidin-3-ol is O=S(=O)(c1ccc(Br)cc1Cl)N1CCC[C@H](O)C1.
What is the InChIKey of (3S)-1-(4-bromo-2-chlorophenyl)sulfonylpiperidin-3-ol?
The InChIKey is SUOGCDSNHYTRAN-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13BrClNO3S/c12-8-3-4-11(10(13)6-8)18(16,17)14-5-1-2-9(15)7-14/h3-4,6,9,15H,1-2,5,7H2/t9-/m0/s1.
What are the key properties of (3S)-1-(4-bromo-2-chlorophenyl)sulfonylpiperidin-3-ol?
(3S)-1-(4-bromo-2-chlorophenyl)sulfonylpiperidin-3-ol has a molecular weight of 354.65 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-bromo-2-chlorophenyl)sulfonylpiperidin-3-ol is sourced from PubChem (CID 107225177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).