1-(4-chloro-3-methylphenyl)-4,5-difluoro-2-(4-methylsulfonylphenyl)benzene

C20H15ClF2O2S — CID 10572620

IUPAC1-(4-chloro-3-methylphenyl)-4,5-difluoro-2-(4-methylsulfonylphenyl)benzene
SMILESCc1cc(-c2cc(F)c(F)cc2-c2ccc(S(C)(=O)=O)cc2)ccc1Cl
InChIInChI=1S/C20H15ClF2O2S/c1-12-9-14(5-8-18(12)21)17-11-20(23)19(22)10-16(17)13-3-6-15(7-4-13)26(2,24)25/h3-11H,1-2H3
InChIKeySXRSLXYKFPVRRL-UHFFFAOYSA-N
MW392.85 g/mol
LogP5.66
Rot. Bonds3

About 1-(4-chloro-3-methylphenyl)-4,5-difluoro-2-(4-methylsulfonylphenyl)benzene

1-(4-chloro-3-methylphenyl)-4,5-difluoro-2-(4-methylsulfonylphenyl)benzene (PubChem CID 10572620) has the molecular formula C20H15ClF2O2S and a molecular weight of 392.85 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenyl)-4,5-difluoro-2-(4-methylsulfonylphenyl)benzene.

Molecular Properties

Compound Name1-(4-chloro-3-methylphenyl)-4,5-difluoro-2-(4-methylsulfonylphenyl)benzene
PubChem CID10572620
Molecular FormulaC20H15ClF2O2S
Molecular Weight392.85 g/mol
Exact Mass392.04
IUPAC Name1-(4-chloro-3-methylphenyl)-4,5-difluoro-2-(4-methylsulfonylphenyl)benzene
SMILESCc1cc(-c2cc(F)c(F)cc2-c2ccc(S(C)(=O)=O)cc2)ccc1Cl
InChIInChI=1S/C20H15ClF2O2S/c1-12-9-14(5-8-18(12)21)17-11-20(23)19(22)10-16(17)13-3-6-15(7-4-13)26(2,24)25/h3-11H,1-2H3
InChIKeySXRSLXYKFPVRRL-UHFFFAOYSA-N
XLogP5.66
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.85
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-Chlorophenyl)-2-[4-(methylsulfonyl)phenyl]benzene
CID 10641092
1-(3-Chloro-4-fluorophenyl)-4,5-difluoro-2-(4-methylsulfonylphenyl)benzene
CID 10786954
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
1,2-Difluoro-4-(3,4-dimethylphenyl)-5-[4-(methylsulfonyl)phenyl]benzene
CID 10595453
1,2-Dichloro-4-(4-fluorophenyl)-5-[4-(methylsulfonyl)phenyl]benzene
CID 10644380
1,2-Difluoro-4-(4-fluoro-3-methylphenyl)-5-[4-(methylsulfonyl)phenyl]benzene
CID 10809519
4-[2-(4-Chloro-3-methylphenyl)-4,5-difluorophenyl]benzenesulfonamide
CID 10810604
2-Chloro-1-fluoro-4-[2-(4-methylsulfonylphenyl)phenyl]benzene
CID 10832407
1-chloro-4-{(E)-2-[4-(methylsulfonyl)phenyl]-2-phenylvinyl}benzene
CID 44388916
3-(3-Chloro-4-methylphenyl)-1,2-difluoro-4-(4-methylsulfonylphenyl)benzene
CID 44394100
1,2-Difluoro-3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)benzene
CID 44394120

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenyl)-4,5-difluoro-2-(4-methylsulfonylphenyl)benzene?
The IUPAC name of 1-(4-chloro-3-methylphenyl)-4,5-difluoro-2-(4-methylsulfonylphenyl)benzene (CID 10572620) is 1-(4-chloro-3-methylphenyl)-4,5-difluoro-2-(4-methylsulfonylphenyl)benzene.
What is the SMILES notation for 1-(4-chloro-3-methylphenyl)-4,5-difluoro-2-(4-methylsulfonylphenyl)benzene?
The canonical SMILES for 1-(4-chloro-3-methylphenyl)-4,5-difluoro-2-(4-methylsulfonylphenyl)benzene is Cc1cc(-c2cc(F)c(F)cc2-c2ccc(S(C)(=O)=O)cc2)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methylphenyl)-4,5-difluoro-2-(4-methylsulfonylphenyl)benzene?
The InChIKey is SXRSLXYKFPVRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF2O2S/c1-12-9-14(5-8-18(12)21)17-11-20(23)19(22)10-16(17)13-3-6-15(7-4-13)26(2,24)25/h3-11H,1-2H3.
What are the key properties of 1-(4-chloro-3-methylphenyl)-4,5-difluoro-2-(4-methylsulfonylphenyl)benzene?
1-(4-chloro-3-methylphenyl)-4,5-difluoro-2-(4-methylsulfonylphenyl)benzene has a molecular weight of 392.85 g/mol, XLogP of 5.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methylphenyl)-4,5-difluoro-2-(4-methylsulfonylphenyl)benzene is sourced from PubChem (CID 10572620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).