1-(2-bromophenyl)sulfonyl-3-(difluoromethyl)azetidine

C10H10BrF2NO2S — CID 122272616

IUPAC1-(2-bromophenyl)sulfonyl-3-(difluoromethyl)azetidine
SMILESO=S(=O)(c1ccccc1Br)N1CC(C(F)F)C1
InChIInChI=1S/C10H10BrF2NO2S/c11-8-3-1-2-4-9(8)17(15,16)14-5-7(6-14)10(12)13/h1-4,7,10H,5-6H2
InChIKeyLXHYSZVBKAPLRT-UHFFFAOYSA-N
MW326.16 g/mol
LogP2.33
Rot. Bonds3

About 1-(2-bromophenyl)sulfonyl-3-(difluoromethyl)azetidine

1-(2-bromophenyl)sulfonyl-3-(difluoromethyl)azetidine (PubChem CID 122272616) has the molecular formula C10H10BrF2NO2S and a molecular weight of 326.16 g/mol. Its IUPAC name is 1-(2-bromophenyl)sulfonyl-3-(difluoromethyl)azetidine.

Molecular Properties

Compound Name1-(2-bromophenyl)sulfonyl-3-(difluoromethyl)azetidine
PubChem CID122272616
Molecular FormulaC10H10BrF2NO2S
Molecular Weight326.16 g/mol
Exact Mass324.96
IUPAC Name1-(2-bromophenyl)sulfonyl-3-(difluoromethyl)azetidine
SMILESO=S(=O)(c1ccccc1Br)N1CC(C(F)F)C1
InChIInChI=1S/C10H10BrF2NO2S/c11-8-3-1-2-4-9(8)17(15,16)14-5-7(6-14)10(12)13/h1-4,7,10H,5-6H2
InChIKeyLXHYSZVBKAPLRT-UHFFFAOYSA-N
XLogP2.33
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.16
LogP ≤ 52.33
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-(difluoromethyl)azetidine?
The IUPAC name of 1-(2-bromophenyl)sulfonyl-3-(difluoromethyl)azetidine (CID 122272616) is 1-(2-bromophenyl)sulfonyl-3-(difluoromethyl)azetidine.
What is the SMILES notation for 1-(2-bromophenyl)sulfonyl-3-(difluoromethyl)azetidine?
The canonical SMILES for 1-(2-bromophenyl)sulfonyl-3-(difluoromethyl)azetidine is O=S(=O)(c1ccccc1Br)N1CC(C(F)F)C1.
What is the InChIKey of 1-(2-bromophenyl)sulfonyl-3-(difluoromethyl)azetidine?
The InChIKey is LXHYSZVBKAPLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2NO2S/c11-8-3-1-2-4-9(8)17(15,16)14-5-7(6-14)10(12)13/h1-4,7,10H,5-6H2.
What are the key properties of 1-(2-bromophenyl)sulfonyl-3-(difluoromethyl)azetidine?
1-(2-bromophenyl)sulfonyl-3-(difluoromethyl)azetidine has a molecular weight of 326.16 g/mol, XLogP of 2.33, 3 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-(difluoromethyl)azetidine is sourced from PubChem (CID 122272616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).