2-[bromo-(3-fluorophenyl)methyl]sulfonylthiophene

C11H8BrFO2S2 — CID 57285910

IUPAC2-[bromo-(3-fluorophenyl)methyl]sulfonylthiophene
SMILESO=S(=O)(c1cccs1)C(Br)c1cccc(F)c1
InChIInChI=1S/C11H8BrFO2S2/c12-11(8-3-1-4-9(13)7-8)17(14,15)10-5-2-6-16-10/h1-7,11H
InChIKeyCFMQIQFZNXGQIU-UHFFFAOYSA-N
MW335.22 g/mol
LogP3.75
Rot. Bonds3

About 2-[bromo-(3-fluorophenyl)methyl]sulfonylthiophene

2-[bromo-(3-fluorophenyl)methyl]sulfonylthiophene (PubChem CID 57285910) has the molecular formula C11H8BrFO2S2 and a molecular weight of 335.22 g/mol. Its IUPAC name is 2-[bromo-(3-fluorophenyl)methyl]sulfonylthiophene.

Molecular Properties

Compound Name2-[bromo-(3-fluorophenyl)methyl]sulfonylthiophene
PubChem CID57285910
Molecular FormulaC11H8BrFO2S2
Molecular Weight335.22 g/mol
Exact Mass333.91
IUPAC Name2-[bromo-(3-fluorophenyl)methyl]sulfonylthiophene
SMILESO=S(=O)(c1cccs1)C(Br)c1cccc(F)c1
InChIInChI=1S/C11H8BrFO2S2/c12-11(8-3-1-4-9(13)7-8)17(14,15)10-5-2-6-16-10/h1-7,11H
InChIKeyCFMQIQFZNXGQIU-UHFFFAOYSA-N
XLogP3.75
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(difluoromethylsulfonyl)thiophene
CID 82076235
N-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]thiophene-2-sulfonamide
CID 52507194
(2S)-2-(3-chlorophenyl)-2-thiophen-2-ylsulfonylethanamine
CID 9162051
2-propan-2-ylsulfonylthiophene
CID 22953694
4-fluoro-2-methyl-N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide
CID 44648994
3-chloro-N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
CID 51449272
2-bromo-2-(3-fluorophenyl)acetaldehyde
CID 87073692
thiophene-2-(18F)sulfonyl fluoride
CID 72736656
[1-(3-fluorophenyl)-2-thiophen-2-ylethyl]hydrazine
CID 105193135
2-thiophen-2-ylsulfonylsulfonylthiophene
CID 141485126
N-[4-fluoro-2-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-sulfonamide
CID 70133210
1-(3-fluorophenyl)ethanesulfonamide
CID 62085639

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(3-fluorophenyl)methyl]sulfonylthiophene?
The IUPAC name of 2-[bromo-(3-fluorophenyl)methyl]sulfonylthiophene (CID 57285910) is 2-[bromo-(3-fluorophenyl)methyl]sulfonylthiophene.
What is the SMILES notation for 2-[bromo-(3-fluorophenyl)methyl]sulfonylthiophene?
The canonical SMILES for 2-[bromo-(3-fluorophenyl)methyl]sulfonylthiophene is O=S(=O)(c1cccs1)C(Br)c1cccc(F)c1.
What is the InChIKey of 2-[bromo-(3-fluorophenyl)methyl]sulfonylthiophene?
The InChIKey is CFMQIQFZNXGQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFO2S2/c12-11(8-3-1-4-9(13)7-8)17(14,15)10-5-2-6-16-10/h1-7,11H.
What are the key properties of 2-[bromo-(3-fluorophenyl)methyl]sulfonylthiophene?
2-[bromo-(3-fluorophenyl)methyl]sulfonylthiophene has a molecular weight of 335.22 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(3-fluorophenyl)methyl]sulfonylthiophene is sourced from PubChem (CID 57285910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).