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

C13H9BrClFO2S — CID 115684180

IUPAC4-bromo-2-chloro-1-[(3-fluorophenyl)sulfonylmethyl]benzene
SMILESO=S(=O)(Cc1ccc(Br)cc1Cl)c1cccc(F)c1
InChIInChI=1S/C13H9BrClFO2S/c14-10-5-4-9(13(15)6-10)8-19(17,18)12-3-1-2-11(16)7-12/h1-7H,8H2
InChIKeyHKYHLZZKHIAHCI-UHFFFAOYSA-N
MW363.64 g/mol
LogP4.22
Rot. Bonds3

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

4-bromo-2-chloro-1-[(3-fluorophenyl)sulfonylmethyl]benzene (PubChem CID 115684180) has the molecular formula C13H9BrClFO2S and a molecular weight of 363.64 g/mol. Its IUPAC name is 4-bromo-2-chloro-1-[(3-fluorophenyl)sulfonylmethyl]benzene.

Molecular Properties

Compound Name4-bromo-2-chloro-1-[(3-fluorophenyl)sulfonylmethyl]benzene
PubChem CID115684180
Molecular FormulaC13H9BrClFO2S
Molecular Weight363.64 g/mol
Exact Mass361.92
IUPAC Name4-bromo-2-chloro-1-[(3-fluorophenyl)sulfonylmethyl]benzene
SMILESO=S(=O)(Cc1ccc(Br)cc1Cl)c1cccc(F)c1
InChIInChI=1S/C13H9BrClFO2S/c14-10-5-4-9(13(15)6-10)8-19(17,18)12-3-1-2-11(16)7-12/h1-7H,8H2
InChIKeyHKYHLZZKHIAHCI-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

3-bromo-4-[(3-fluorophenyl)sulfonylmethyl]benzoic acid
CID 102766383
2-[(3-bromophenyl)sulfonylmethyl]-4-fluoroaniline
CID 55119579
5-bromo-2-[(3-chlorophenyl)sulfonylmethyl]aniline
CID 114382135
4-bromo-1-[(4-chlorophenyl)sulfonylmethyl]-2-fluorobenzene
CID 604533
[4-[(3-fluorophenyl)sulfonylmethyl]-3-methylphenyl]methanamine
CID 114486173
N-[(4-bromo-2-chlorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 115598223
1-fluoro-3-(iodomethylsulfonyl)benzene
CID 163495375
2-[(3-bromophenyl)sulfonylmethyl]-4-chlorophenol
CID 167696013
3-[(4-bromo-2-fluorophenyl)methylsulfonyl]-5-fluoroaniline
CID 81183627
3-bromo-4-[(3-bromophenyl)sulfonylmethyl]benzoic acid
CID 102766373
3-[(3-bromophenyl)sulfonylmethyl]-4-fluorobenzonitrile
CID 64692867
methyl 2-[(3-fluorophenyl)sulfonylmethyl]benzoate
CID 82957935

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-1-[(3-fluorophenyl)sulfonylmethyl]benzene?
The IUPAC name of 4-bromo-2-chloro-1-[(3-fluorophenyl)sulfonylmethyl]benzene (CID 115684180) is 4-bromo-2-chloro-1-[(3-fluorophenyl)sulfonylmethyl]benzene.
What is the SMILES notation for 4-bromo-2-chloro-1-[(3-fluorophenyl)sulfonylmethyl]benzene?
The canonical SMILES for 4-bromo-2-chloro-1-[(3-fluorophenyl)sulfonylmethyl]benzene is O=S(=O)(Cc1ccc(Br)cc1Cl)c1cccc(F)c1.
What is the InChIKey of 4-bromo-2-chloro-1-[(3-fluorophenyl)sulfonylmethyl]benzene?
The InChIKey is HKYHLZZKHIAHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClFO2S/c14-10-5-4-9(13(15)6-10)8-19(17,18)12-3-1-2-11(16)7-12/h1-7H,8H2.
What are the key properties of 4-bromo-2-chloro-1-[(3-fluorophenyl)sulfonylmethyl]benzene?
4-bromo-2-chloro-1-[(3-fluorophenyl)sulfonylmethyl]benzene 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 4-bromo-2-chloro-1-[(3-fluorophenyl)sulfonylmethyl]benzene is sourced from PubChem (CID 115684180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).