2-chloro-1-fluoro-4-(4-methylsulfonylphenyl)benzene

C13H10ClFO2S — CID 70265699

IUPAC2-chloro-1-fluoro-4-(4-methylsulfonylphenyl)benzene
SMILESCS(=O)(=O)c1ccc(-c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C13H10ClFO2S/c1-18(16,17)11-5-2-9(3-6-11)10-4-7-13(15)12(14)8-10/h2-8H,1H3
InChIKeyVADQWORELZHSDP-UHFFFAOYSA-N
MW284.74 g/mol
LogP3.55
Rot. Bonds2

About 2-chloro-1-fluoro-4-(4-methylsulfonylphenyl)benzene

2-chloro-1-fluoro-4-(4-methylsulfonylphenyl)benzene (PubChem CID 70265699) has the molecular formula C13H10ClFO2S and a molecular weight of 284.74 g/mol. Its IUPAC name is 2-chloro-1-fluoro-4-(4-methylsulfonylphenyl)benzene.

Molecular Properties

Compound Name2-chloro-1-fluoro-4-(4-methylsulfonylphenyl)benzene
PubChem CID70265699
Molecular FormulaC13H10ClFO2S
Molecular Weight284.74 g/mol
Exact Mass284.01
IUPAC Name2-chloro-1-fluoro-4-(4-methylsulfonylphenyl)benzene
SMILESCS(=O)(=O)c1ccc(-c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C13H10ClFO2S/c1-18(16,17)11-5-2-9(3-6-11)10-4-7-13(15)12(14)8-10/h2-8H,1H3
InChIKeyVADQWORELZHSDP-UHFFFAOYSA-N
XLogP3.55
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(3-chloro-4-fluorophenyl)-5-(4-methylsulfonylphenyl)spiro[2.4]hept-5-ene;ethane
CID 142174476
(3-chloro-4-fluorophenyl)-(4-methylsulfonylphenyl)methanone
CID 21262863
1-(3-chloro-4-fluorophenyl)sulfonylethanethiol
CID 147177623
3-chloro-4-fluoro-N,N-dimethylbenzenesulfonamide
CID 697776
2-chloro-1,3-difluoro-5-[2-(4-methylsulfonylphenyl)phenyl]benzene
CID 23451001
3-(3-chloro-4-fluorophenyl)-2-(4-methylsulfonylphenyl)chromene-4-thione
CID 18324977
1-[2-(4-chlorophenyl)-4,4-dimethylcyclopenten-1-yl]-4-methylsulfonylbenzene
CID 10155469
4-[chloro-(4-methylsulfonylphenyl)methyl]-1,2-difluorobenzene
CID 61086005
1,2,3-trifluoro-5-[2-(4-methylsulfonylphenyl)phenyl]benzene
CID 23451159
1-(3-chloro-4-fluorophenyl)-3,5-difluorobenzene
CID 142366576
2-chloro-1-fluoro-4-[isocyano-(4-methylphenyl)sulfonylmethyl]benzene
CID 23076687
3-chloro-4-[4-(4-methylsulfonylphenyl)phenyl]aniline
CID 118623053

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-fluoro-4-(4-methylsulfonylphenyl)benzene?
The IUPAC name of 2-chloro-1-fluoro-4-(4-methylsulfonylphenyl)benzene (CID 70265699) is 2-chloro-1-fluoro-4-(4-methylsulfonylphenyl)benzene.
What is the SMILES notation for 2-chloro-1-fluoro-4-(4-methylsulfonylphenyl)benzene?
The canonical SMILES for 2-chloro-1-fluoro-4-(4-methylsulfonylphenyl)benzene is CS(=O)(=O)c1ccc(-c2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of 2-chloro-1-fluoro-4-(4-methylsulfonylphenyl)benzene?
The InChIKey is VADQWORELZHSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFO2S/c1-18(16,17)11-5-2-9(3-6-11)10-4-7-13(15)12(14)8-10/h2-8H,1H3.
What are the key properties of 2-chloro-1-fluoro-4-(4-methylsulfonylphenyl)benzene?
2-chloro-1-fluoro-4-(4-methylsulfonylphenyl)benzene has a molecular weight of 284.74 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-fluoro-4-(4-methylsulfonylphenyl)benzene is sourced from PubChem (CID 70265699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).