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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).