1-bromo-2,4-difluoro-3-[(2-fluorophenyl)sulfonylmethyl]benzene

C13H8BrF3O2S — CID 106272385

IUPAC1-bromo-2,4-difluoro-3-[(2-fluorophenyl)sulfonylmethyl]benzene
SMILESO=S(=O)(Cc1c(F)ccc(Br)c1F)c1ccccc1F
InChIInChI=1S/C13H8BrF3O2S/c14-9-5-6-10(15)8(13(9)17)7-20(18,19)12-4-2-1-3-11(12)16/h1-6H,7H2
InChIKeyQNMRQWGURWIDTN-UHFFFAOYSA-N
MW365.17 g/mol
LogP3.84
Rot. Bonds3

About 1-bromo-2,4-difluoro-3-[(2-fluorophenyl)sulfonylmethyl]benzene

1-bromo-2,4-difluoro-3-[(2-fluorophenyl)sulfonylmethyl]benzene (PubChem CID 106272385) has the molecular formula C13H8BrF3O2S and a molecular weight of 365.17 g/mol. Its IUPAC name is 1-bromo-2,4-difluoro-3-[(2-fluorophenyl)sulfonylmethyl]benzene.

Molecular Properties

Compound Name1-bromo-2,4-difluoro-3-[(2-fluorophenyl)sulfonylmethyl]benzene
PubChem CID106272385
Molecular FormulaC13H8BrF3O2S
Molecular Weight365.17 g/mol
Exact Mass363.94
IUPAC Name1-bromo-2,4-difluoro-3-[(2-fluorophenyl)sulfonylmethyl]benzene
SMILESO=S(=O)(Cc1c(F)ccc(Br)c1F)c1ccccc1F
InChIInChI=1S/C13H8BrF3O2S/c14-9-5-6-10(15)8(13(9)17)7-20(18,19)12-4-2-1-3-11(12)16/h1-6H,7H2
InChIKeyQNMRQWGURWIDTN-UHFFFAOYSA-N
XLogP3.84
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.17
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-bromo-2,6-difluorophenyl)methylsulfonyl]-3-chloroaniline
CID 106273406
2-bromo-5-[(2-fluorophenyl)sulfonylmethyl]thiophene
CID 47457030
2-[(3-bromo-2,6-difluorophenyl)methylsulfonyl]-2-methylpropanoic acid
CID 106264100
1-(3-bromo-2,6-difluorophenyl)-2-(2-fluorophenyl)propan-2-ol
CID 106265089
N-[(3-bromo-2,6-difluorophenyl)methyl]-N-methylaniline
CID 106268356
2-fluoro-3-[(2-fluorophenyl)sulfonylmethyl]benzonitrile
CID 107119999
N-[(3-bromo-2,6-difluorophenyl)methyl]-2-ethylaniline
CID 106263151
3-(3-bromo-2,6-difluorophenyl)-1-cyclopropyl-1-hydroxypropan-2-one
CID 106266325
1-[(2-fluorophenyl)sulfonylmethyl]cyclopropan-1-amine
CID 84792737
3-fluoro-5-[(2-fluorophenyl)sulfonylmethyl]aniline
CID 112648307
4-fluoro-1-[(2-fluorophenyl)sulfonylmethyl]-2-methylbenzene
CID 114349484
1-(2-fluorophenyl)-3-(2-fluorophenyl)sulfonylpropan-2-one
CID 64642533

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2,4-difluoro-3-[(2-fluorophenyl)sulfonylmethyl]benzene?
The IUPAC name of 1-bromo-2,4-difluoro-3-[(2-fluorophenyl)sulfonylmethyl]benzene (CID 106272385) is 1-bromo-2,4-difluoro-3-[(2-fluorophenyl)sulfonylmethyl]benzene.
What is the SMILES notation for 1-bromo-2,4-difluoro-3-[(2-fluorophenyl)sulfonylmethyl]benzene?
The canonical SMILES for 1-bromo-2,4-difluoro-3-[(2-fluorophenyl)sulfonylmethyl]benzene is O=S(=O)(Cc1c(F)ccc(Br)c1F)c1ccccc1F.
What is the InChIKey of 1-bromo-2,4-difluoro-3-[(2-fluorophenyl)sulfonylmethyl]benzene?
The InChIKey is QNMRQWGURWIDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF3O2S/c14-9-5-6-10(15)8(13(9)17)7-20(18,19)12-4-2-1-3-11(12)16/h1-6H,7H2.
What are the key properties of 1-bromo-2,4-difluoro-3-[(2-fluorophenyl)sulfonylmethyl]benzene?
1-bromo-2,4-difluoro-3-[(2-fluorophenyl)sulfonylmethyl]benzene has a molecular weight of 365.17 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2,4-difluoro-3-[(2-fluorophenyl)sulfonylmethyl]benzene is sourced from PubChem (CID 106272385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).