1-(2-bromo-4,5-difluorophenyl)sulfonylpiperidin-4-ol

C11H12BrF2NO3S — CID 58457190

IUPAC1-(2-bromo-4,5-difluorophenyl)sulfonylpiperidin-4-ol
SMILESO=S(=O)(c1cc(F)c(F)cc1Br)N1CCC(O)CC1
InChIInChI=1S/C11H12BrF2NO3S/c12-8-5-9(13)10(14)6-11(8)19(17,18)15-3-1-7(16)2-4-15/h5-7,16H,1-4H2
InChIKeyLMHUBOZWPCKYMM-UHFFFAOYSA-N
MW356.19 g/mol
LogP1.87
Rot. Bonds2

About 1-(2-bromo-4,5-difluorophenyl)sulfonylpiperidin-4-ol

1-(2-bromo-4,5-difluorophenyl)sulfonylpiperidin-4-ol (PubChem CID 58457190) has the molecular formula C11H12BrF2NO3S and a molecular weight of 356.19 g/mol. Its IUPAC name is 1-(2-bromo-4,5-difluorophenyl)sulfonylpiperidin-4-ol.

Molecular Properties

Compound Name1-(2-bromo-4,5-difluorophenyl)sulfonylpiperidin-4-ol
PubChem CID58457190
Molecular FormulaC11H12BrF2NO3S
Molecular Weight356.19 g/mol
Exact Mass354.97
IUPAC Name1-(2-bromo-4,5-difluorophenyl)sulfonylpiperidin-4-ol
SMILESO=S(=O)(c1cc(F)c(F)cc1Br)N1CCC(O)CC1
InChIInChI=1S/C11H12BrF2NO3S/c12-8-5-9(13)10(14)6-11(8)19(17,18)15-3-1-7(16)2-4-15/h5-7,16H,1-4H2
InChIKeyLMHUBOZWPCKYMM-UHFFFAOYSA-N
XLogP1.87
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.19
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 1-(2-bromo-4,5-difluorophenyl)sulfonylpiperidin-4-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-fluorophenyl)sulfonyl)piperidin-4-ol
CID 45480002
(3S)-1-(4-bromo-2-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 45480003
(3R)-1-(2-bromo-6-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 71967761
4-bromo-2,5-difluoro-N-[(2S)-2-hydroxypropyl]-N-methylbenzenesulfonamide
CID 97812750
1-(2-Fluorophenyl)sulfonylpiperidin-4-ol
CID 23740148
1-(4-Fluorophenylsulfonyl)piperidin-4-ol
CID 28345237
1-(2-Bromo-4,5-difluorophenyl)sulfonylpyrrolidin-3-ol
CID 58457199
2-bromo-N-ethyl-4,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 58457205
(4-Bromo-2,5-difluorophenyl)sulfonylpiperidine
CID 69644119
1-((3-Bromo-4-fluorophenyl)sulfonyl)piperidin-4-ol
CID 89656120
1-((2-Bromophenyl)sulfonyl)-4,4-difluoropiperidine
CID 90312908
1-((2-Bromophenyl)sulfonyl)-3,3-difluoropiperidine
CID 90313204

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4,5-difluorophenyl)sulfonylpiperidin-4-ol?
The IUPAC name of 1-(2-bromo-4,5-difluorophenyl)sulfonylpiperidin-4-ol (CID 58457190) is 1-(2-bromo-4,5-difluorophenyl)sulfonylpiperidin-4-ol.
What is the SMILES notation for 1-(2-bromo-4,5-difluorophenyl)sulfonylpiperidin-4-ol?
The canonical SMILES for 1-(2-bromo-4,5-difluorophenyl)sulfonylpiperidin-4-ol is O=S(=O)(c1cc(F)c(F)cc1Br)N1CCC(O)CC1.
What is the InChIKey of 1-(2-bromo-4,5-difluorophenyl)sulfonylpiperidin-4-ol?
The InChIKey is LMHUBOZWPCKYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF2NO3S/c12-8-5-9(13)10(14)6-11(8)19(17,18)15-3-1-7(16)2-4-15/h5-7,16H,1-4H2.
What are the key properties of 1-(2-bromo-4,5-difluorophenyl)sulfonylpiperidin-4-ol?
1-(2-bromo-4,5-difluorophenyl)sulfonylpiperidin-4-ol has a molecular weight of 356.19 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4,5-difluorophenyl)sulfonylpiperidin-4-ol is sourced from PubChem (CID 58457190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).