(5-bromofuran-2-yl)-(3-ethylsulfonylazetidin-1-yl)methanone

C10H12BrNO4S — CID 121164470

IUPAC(5-bromofuran-2-yl)-(3-ethylsulfonylazetidin-1-yl)methanone
SMILESCCS(=O)(=O)C1CN(C(=O)c2ccc(Br)o2)C1
InChIInChI=1S/C10H12BrNO4S/c1-2-17(14,15)7-5-12(6-7)10(13)8-3-4-9(11)16-8/h3-4,7H,2,5-6H2,1H3
InChIKeyLFYWOTKISMIIPW-UHFFFAOYSA-N
MW322.18 g/mol
LogP1.30
Rot. Bonds3

About (5-bromofuran-2-yl)-(3-ethylsulfonylazetidin-1-yl)methanone

(5-bromofuran-2-yl)-(3-ethylsulfonylazetidin-1-yl)methanone (PubChem CID 121164470) has the molecular formula C10H12BrNO4S and a molecular weight of 322.18 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-(3-ethylsulfonylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-(3-ethylsulfonylazetidin-1-yl)methanone
PubChem CID121164470
Molecular FormulaC10H12BrNO4S
Molecular Weight322.18 g/mol
Exact Mass320.97
IUPAC Name(5-bromofuran-2-yl)-(3-ethylsulfonylazetidin-1-yl)methanone
SMILESCCS(=O)(=O)C1CN(C(=O)c2ccc(Br)o2)C1
InChIInChI=1S/C10H12BrNO4S/c1-2-17(14,15)7-5-12(6-7)10(13)8-3-4-9(11)16-8/h3-4,7H,2,5-6H2,1H3
InChIKeyLFYWOTKISMIIPW-UHFFFAOYSA-N
XLogP1.30
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.18
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-bromofuran-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 110662274
(5-bromofuran-2-yl)-[3-(chloromethyl)azetidin-1-yl]methanone
CID 130531342
[(2S,5S)-4-(5-bromofuran-2-carbonyl)-2,5-dimethylpiperazin-1-yl]-(5-bromofuran-2-yl)methanone
CID 1010202
[4-(5-bromofuran-2-carbonyl)-3-methylpiperazin-1-yl]-(5-bromofuran-2-yl)methanone
CID 112811867
[4-(1-bromoethyl)piperidin-1-yl]-(5-bromofuran-2-yl)methanone
CID 106839225
azepan-1-yl-(5-bromofuran-2-yl)methanone
CID 750410
(5-bromofuran-2-yl)-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]methanone
CID 114509384
1-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]ethanone
CID 84581067
(5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560232
(5-bromofuran-2-yl)-(2,4-dimethylpyrrolidin-1-yl)methanone
CID 115643711
(5-bromofuran-2-yl)-[4-(bromomethyl)piperidin-1-yl]methanone
CID 80678565
(2-chlorophenyl)-(3-ethylsulfonylazetidin-1-yl)methanone
CID 121164417

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-(3-ethylsulfonylazetidin-1-yl)methanone?
The IUPAC name of (5-bromofuran-2-yl)-(3-ethylsulfonylazetidin-1-yl)methanone (CID 121164470) is (5-bromofuran-2-yl)-(3-ethylsulfonylazetidin-1-yl)methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-(3-ethylsulfonylazetidin-1-yl)methanone?
The canonical SMILES for (5-bromofuran-2-yl)-(3-ethylsulfonylazetidin-1-yl)methanone is CCS(=O)(=O)C1CN(C(=O)c2ccc(Br)o2)C1.
What is the InChIKey of (5-bromofuran-2-yl)-(3-ethylsulfonylazetidin-1-yl)methanone?
The InChIKey is LFYWOTKISMIIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO4S/c1-2-17(14,15)7-5-12(6-7)10(13)8-3-4-9(11)16-8/h3-4,7H,2,5-6H2,1H3.
What are the key properties of (5-bromofuran-2-yl)-(3-ethylsulfonylazetidin-1-yl)methanone?
(5-bromofuran-2-yl)-(3-ethylsulfonylazetidin-1-yl)methanone has a molecular weight of 322.18 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-(3-ethylsulfonylazetidin-1-yl)methanone is sourced from PubChem (CID 121164470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).