1-bromo-4-[(4-chlorophenyl)sulfonylmethyl]-2-fluorobenzene

C13H9BrClFO2S — CID 169409194

IUPAC1-bromo-4-[(4-chlorophenyl)sulfonylmethyl]-2-fluorobenzene
SMILESO=S(=O)(Cc1ccc(Br)c(F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C13H9BrClFO2S/c14-12-6-1-9(7-13(12)16)8-19(17,18)11-4-2-10(15)3-5-11/h1-7H,8H2
InChIKeyZJVFIQXNCLDTCV-UHFFFAOYSA-N
MW363.64 g/mol
LogP4.22
Rot. Bonds3

About 1-bromo-4-[(4-chlorophenyl)sulfonylmethyl]-2-fluorobenzene

1-bromo-4-[(4-chlorophenyl)sulfonylmethyl]-2-fluorobenzene (PubChem CID 169409194) has the molecular formula C13H9BrClFO2S and a molecular weight of 363.64 g/mol. Its IUPAC name is 1-bromo-4-[(4-chlorophenyl)sulfonylmethyl]-2-fluorobenzene.

Molecular Properties

Compound Name1-bromo-4-[(4-chlorophenyl)sulfonylmethyl]-2-fluorobenzene
PubChem CID169409194
Molecular FormulaC13H9BrClFO2S
Molecular Weight363.64 g/mol
Exact Mass361.92
IUPAC Name1-bromo-4-[(4-chlorophenyl)sulfonylmethyl]-2-fluorobenzene
SMILESO=S(=O)(Cc1ccc(Br)c(F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C13H9BrClFO2S/c14-12-6-1-9(7-13(12)16)8-19(17,18)11-4-2-10(15)3-5-11/h1-7H,8H2
InChIKeyZJVFIQXNCLDTCV-UHFFFAOYSA-N
XLogP4.22
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.64
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(((4-Chlorophenyl)sulfonyl)methyl)-1,4-difluorobenzene
CID 9901028
4-Bromo-1-([(4-chlorophenyl)sulfonyl]methyl)-2-fluorobenzene
CID 604533
2-[1-(4-Chloro-benzenesulfonyl)-ethyl]-1,4-difluoro-benzene
CID 44400904
2-(((2-Bromophenyl)sulfanyl)methyl)-1-chloro-3-fluorobenzene
CID 588753
1-[(E)-2-(4-chlorophenyl)sulfonylethenyl]-4-fluorobenzene
CID 9900832
1-Chloro-4-(benzylsulfonyl)benzene
CID 346672
4-Chlorophenyl 2-fluoro-3-methylbenzyl sulfone
CID 579257
1-[(E)-2-(4-chlorophenyl)sulfonylethenyl]-3-fluorobenzene
CID 76321833
1-[(E)-2-(4-chlorophenyl)sulfonylethenyl]-2-fluorobenzene
CID 76332690
2-(1-(4-Chlorophenylsulfonyl)vinyl)-1,4-difluorobenzene
CID 11529749
1-Chloro-4-(((1E)-2-phenylethenyl)sulfonyl)benzene
CID 6141326
E-4-bromostyryl phenyl sulfone
CID 9949099

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(4-chlorophenyl)sulfonylmethyl]-2-fluorobenzene?
The IUPAC name of 1-bromo-4-[(4-chlorophenyl)sulfonylmethyl]-2-fluorobenzene (CID 169409194) is 1-bromo-4-[(4-chlorophenyl)sulfonylmethyl]-2-fluorobenzene.
What is the SMILES notation for 1-bromo-4-[(4-chlorophenyl)sulfonylmethyl]-2-fluorobenzene?
The canonical SMILES for 1-bromo-4-[(4-chlorophenyl)sulfonylmethyl]-2-fluorobenzene is O=S(=O)(Cc1ccc(Br)c(F)c1)c1ccc(Cl)cc1.
What is the InChIKey of 1-bromo-4-[(4-chlorophenyl)sulfonylmethyl]-2-fluorobenzene?
The InChIKey is ZJVFIQXNCLDTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClFO2S/c14-12-6-1-9(7-13(12)16)8-19(17,18)11-4-2-10(15)3-5-11/h1-7H,8H2.
What are the key properties of 1-bromo-4-[(4-chlorophenyl)sulfonylmethyl]-2-fluorobenzene?
1-bromo-4-[(4-chlorophenyl)sulfonylmethyl]-2-fluorobenzene has a molecular weight of 363.64 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(4-chlorophenyl)sulfonylmethyl]-2-fluorobenzene is sourced from PubChem (CID 169409194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).