1-(2-bromophenyl)sulfonyl-3,3-difluoropiperidine

C11H12BrF2NO2S — CID 90313204

IUPAC1-(2-bromophenyl)sulfonyl-3,3-difluoropiperidine
SMILESO=S(=O)(c1ccccc1Br)N1CCCC(F)(F)C1
InChIInChI=1S/C11H12BrF2NO2S/c12-9-4-1-2-5-10(9)18(16,17)15-7-3-6-11(13,14)8-15/h1-2,4-5H,3,6-8H2
InChIKeyDOOLBPKTWQSNBE-UHFFFAOYSA-N
MW340.19 g/mol
LogP2.87
Rot. Bonds2

About 1-(2-bromophenyl)sulfonyl-3,3-difluoropiperidine

1-(2-bromophenyl)sulfonyl-3,3-difluoropiperidine (PubChem CID 90313204) has the molecular formula C11H12BrF2NO2S and a molecular weight of 340.19 g/mol. Its IUPAC name is 1-(2-bromophenyl)sulfonyl-3,3-difluoropiperidine.

Molecular Properties

Compound Name1-(2-bromophenyl)sulfonyl-3,3-difluoropiperidine
PubChem CID90313204
Molecular FormulaC11H12BrF2NO2S
Molecular Weight340.19 g/mol
Exact Mass338.97
IUPAC Name1-(2-bromophenyl)sulfonyl-3,3-difluoropiperidine
SMILESO=S(=O)(c1ccccc1Br)N1CCCC(F)(F)C1
InChIInChI=1S/C11H12BrF2NO2S/c12-9-4-1-2-5-10(9)18(16,17)15-7-3-6-11(13,14)8-15/h1-2,4-5H,3,6-8H2
InChIKeyDOOLBPKTWQSNBE-UHFFFAOYSA-N
XLogP2.87
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.19
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)sulfonyl-3,3-difluoropiperidine?
The IUPAC name of 1-(2-bromophenyl)sulfonyl-3,3-difluoropiperidine (CID 90313204) is 1-(2-bromophenyl)sulfonyl-3,3-difluoropiperidine.
What is the SMILES notation for 1-(2-bromophenyl)sulfonyl-3,3-difluoropiperidine?
The canonical SMILES for 1-(2-bromophenyl)sulfonyl-3,3-difluoropiperidine is O=S(=O)(c1ccccc1Br)N1CCCC(F)(F)C1.
What is the InChIKey of 1-(2-bromophenyl)sulfonyl-3,3-difluoropiperidine?
The InChIKey is DOOLBPKTWQSNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF2NO2S/c12-9-4-1-2-5-10(9)18(16,17)15-7-3-6-11(13,14)8-15/h1-2,4-5H,3,6-8H2.
What are the key properties of 1-(2-bromophenyl)sulfonyl-3,3-difluoropiperidine?
1-(2-bromophenyl)sulfonyl-3,3-difluoropiperidine has a molecular weight of 340.19 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)sulfonyl-3,3-difluoropiperidine is sourced from PubChem (CID 90313204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).