2-chloro-1,3-difluoro-5-[2-(4-methylsulfonylphenyl)phenyl]benzene

C19H13ClF2O2S — CID 23451001

IUPAC2-chloro-1,3-difluoro-5-[2-(4-methylsulfonylphenyl)phenyl]benzene
SMILESCS(=O)(=O)c1ccc(-c2ccccc2-c2cc(F)c(Cl)c(F)c2)cc1
InChIInChI=1S/C19H13ClF2O2S/c1-25(23,24)14-8-6-12(7-9-14)15-4-2-3-5-16(15)13-10-17(21)19(20)18(22)11-13/h2-11H,1H3
InChIKeyRSWYTILHAIKQTB-UHFFFAOYSA-N
MW378.83 g/mol
LogP5.36
Rot. Bonds3

About 2-chloro-1,3-difluoro-5-[2-(4-methylsulfonylphenyl)phenyl]benzene

2-chloro-1,3-difluoro-5-[2-(4-methylsulfonylphenyl)phenyl]benzene (PubChem CID 23451001) has the molecular formula C19H13ClF2O2S and a molecular weight of 378.83 g/mol. Its IUPAC name is 2-chloro-1,3-difluoro-5-[2-(4-methylsulfonylphenyl)phenyl]benzene.

Molecular Properties

Compound Name2-chloro-1,3-difluoro-5-[2-(4-methylsulfonylphenyl)phenyl]benzene
PubChem CID23451001
Molecular FormulaC19H13ClF2O2S
Molecular Weight378.83 g/mol
Exact Mass378.03
IUPAC Name2-chloro-1,3-difluoro-5-[2-(4-methylsulfonylphenyl)phenyl]benzene
SMILESCS(=O)(=O)c1ccc(-c2ccccc2-c2cc(F)c(Cl)c(F)c2)cc1
InChIInChI=1S/C19H13ClF2O2S/c1-25(23,24)14-8-6-12(7-9-14)15-4-2-3-5-16(15)13-10-17(21)19(20)18(22)11-13/h2-11H,1H3
InChIKeyRSWYTILHAIKQTB-UHFFFAOYSA-N
XLogP5.36
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.83
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-Chloro-4-[2-(4-methylsulfonylphenyl)-1-cyclopentenyl]benzene
CID 9927594
4-[2-(4-Chlorophenyl)phenyl]benzenesulfonamide
CID 10545354
1-(4-Chlorophenyl)-2-[4-(methylsulfonyl)phenyl]benzene
CID 10641092
1-[2-(3-Chloro-4-fluorophenyl)cyclopenten-1-yl]-4-(methylsulfonyl)benzene
CID 10784091
1-(3-Chloro-4-fluorophenyl)-4,5-difluoro-2-(4-methylsulfonylphenyl)benzene
CID 10786954
1-(4-Fluorophenyl)-2-[4-(methylsulfonyl)phenyl]benzene
CID 9905412
2-(1-(4-Chlorophenylsulfonyl)cyclohexyl)-1,4-difluorobenzene
CID 9929326
4-[2-(3-Chloro-4-fluorophenyl)-4,5-difluorophenyl]benzenesulfonamide
CID 10046378
1-[4,4-Dimethyl-2-(4-methylsulfonylphenyl)-1-cyclopentenyl]-4-chlorobenzene
CID 10155469
1-(3-Chloro-4-methylphenyl)-4,5-difluoro-2-[4-(methylsulfonyl)phenyl]benzene
CID 10524587
1,2-Difluoro-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)benzene
CID 10546567
4-(4-Chloro-3-methylphenyl)-1,2-difluoro-5-[4-(methylsulfonyl)phenyl]benzene
CID 10572620

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,3-difluoro-5-[2-(4-methylsulfonylphenyl)phenyl]benzene?
The IUPAC name of 2-chloro-1,3-difluoro-5-[2-(4-methylsulfonylphenyl)phenyl]benzene (CID 23451001) is 2-chloro-1,3-difluoro-5-[2-(4-methylsulfonylphenyl)phenyl]benzene.
What is the SMILES notation for 2-chloro-1,3-difluoro-5-[2-(4-methylsulfonylphenyl)phenyl]benzene?
The canonical SMILES for 2-chloro-1,3-difluoro-5-[2-(4-methylsulfonylphenyl)phenyl]benzene is CS(=O)(=O)c1ccc(-c2ccccc2-c2cc(F)c(Cl)c(F)c2)cc1.
What is the InChIKey of 2-chloro-1,3-difluoro-5-[2-(4-methylsulfonylphenyl)phenyl]benzene?
The InChIKey is RSWYTILHAIKQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF2O2S/c1-25(23,24)14-8-6-12(7-9-14)15-4-2-3-5-16(15)13-10-17(21)19(20)18(22)11-13/h2-11H,1H3.
What are the key properties of 2-chloro-1,3-difluoro-5-[2-(4-methylsulfonylphenyl)phenyl]benzene?
2-chloro-1,3-difluoro-5-[2-(4-methylsulfonylphenyl)phenyl]benzene has a molecular weight of 378.83 g/mol, XLogP of 5.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,3-difluoro-5-[2-(4-methylsulfonylphenyl)phenyl]benzene is sourced from PubChem (CID 23451001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).