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

C20H15ClF2O3S — CID 10716420

IUPAC1-(3-chloro-4-methoxyphenyl)-4,5-difluoro-2-(4-methylsulfonylphenyl)benzene
SMILESCOc1ccc(-c2cc(F)c(F)cc2-c2ccc(S(C)(=O)=O)cc2)cc1Cl
InChIInChI=1S/C20H15ClF2O3S/c1-26-20-8-5-13(9-17(20)21)16-11-19(23)18(22)10-15(16)12-3-6-14(7-4-12)27(2,24)25/h3-11H,1-2H3
InChIKeyCUIDMPSXUBHFLG-UHFFFAOYSA-N
MW408.85 g/mol
LogP5.36
Rot. Bonds4

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

1-(3-chloro-4-methoxyphenyl)-4,5-difluoro-2-(4-methylsulfonylphenyl)benzene (PubChem CID 10716420) has the molecular formula C20H15ClF2O3S and a molecular weight of 408.85 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-4,5-difluoro-2-(4-methylsulfonylphenyl)benzene.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-4,5-difluoro-2-(4-methylsulfonylphenyl)benzene
PubChem CID10716420
Molecular FormulaC20H15ClF2O3S
Molecular Weight408.85 g/mol
Exact Mass408.04
IUPAC Name1-(3-chloro-4-methoxyphenyl)-4,5-difluoro-2-(4-methylsulfonylphenyl)benzene
SMILESCOc1ccc(-c2cc(F)c(F)cc2-c2ccc(S(C)(=O)=O)cc2)cc1Cl
InChIInChI=1S/C20H15ClF2O3S/c1-26-20-8-5-13(9-17(20)21)16-11-19(23)18(22)10-15(16)12-3-6-14(7-4-12)27(2,24)25/h3-11H,1-2H3
InChIKeyCUIDMPSXUBHFLG-UHFFFAOYSA-N
XLogP5.36
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.85
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Chloro-4-[2-(4-methanesulfonyl-phenyl)-cyclopent-1-enyl]-1-methoxy-benzene
CID 9947111
4-[2-(3-Chloro-4-methoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide
CID 10179720
3-Chloro-4-methoxy-[1,1'';2'',1'''']terphenyl-4''''-sulfonic acid amide
CID 10523413
1,2-Difluoro-4-(3-fluoro-4-methoxyphenyl)-5-[4-(methylsulfonyl)phenyl]benzene
CID 10548520
5-(3,5-Dichloro-4-methoxy-phenyl)-6-(4-methanesulfonyl-phenyl)-spiro[2.4]hept-5-ene
CID 9823594
5-(3-Chloro-4-methoxy-phenyl)-6-(4-methanesulfonyl-phenyl)-spiro[2.4]hept-5-ene
CID 10157135
1,2-Difluoro-4-(4-methoxy-3-methylpheny)-5-[4-(methylsulfonyl)phenyl]benzene
CID 10739009
4-[2-(3,5-Dichloro-4-methoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide
CID 11797537
5-(3-Chloro-4-methoxy-phenyl)-6-(4-methanesulfonyl-phenyl)-spiro[2.4]hepta-4,6-diene
CID 22907695
1,3-Dichloro-5-[2-(4-methanesulfonyl-phenyl)-cyclopent-1-enyl]-2-methoxy-benzene
CID 11795080
1,2-Difluoro-3-(3-fluoro-4-methoxyphenyl)-4-(4-methylsulfonylphenyl)benzene
CID 44394200
1,2-Difluoro-3-(4-methoxy-3-methylphenyl)-4-(4-methylsulfonylphenyl)benzene
CID 44394204

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-4,5-difluoro-2-(4-methylsulfonylphenyl)benzene?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-4,5-difluoro-2-(4-methylsulfonylphenyl)benzene (CID 10716420) is 1-(3-chloro-4-methoxyphenyl)-4,5-difluoro-2-(4-methylsulfonylphenyl)benzene.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-4,5-difluoro-2-(4-methylsulfonylphenyl)benzene?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-4,5-difluoro-2-(4-methylsulfonylphenyl)benzene is COc1ccc(-c2cc(F)c(F)cc2-c2ccc(S(C)(=O)=O)cc2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-4,5-difluoro-2-(4-methylsulfonylphenyl)benzene?
The InChIKey is CUIDMPSXUBHFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF2O3S/c1-26-20-8-5-13(9-17(20)21)16-11-19(23)18(22)10-15(16)12-3-6-14(7-4-12)27(2,24)25/h3-11H,1-2H3.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-4,5-difluoro-2-(4-methylsulfonylphenyl)benzene?
1-(3-chloro-4-methoxyphenyl)-4,5-difluoro-2-(4-methylsulfonylphenyl)benzene has a molecular weight of 408.85 g/mol, XLogP of 5.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-4,5-difluoro-2-(4-methylsulfonylphenyl)benzene is sourced from PubChem (CID 10716420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).