3-(3,5-difluoro-4-methylsulfonylphenyl)-4-(3,4-dimethylphenyl)thiophene

C19H16F2O2S2 — CID 22746938

IUPAC3-(3,5-difluoro-4-methylsulfonylphenyl)-4-(3,4-dimethylphenyl)thiophene
SMILESCc1ccc(-c2cscc2-c2cc(F)c(S(C)(=O)=O)c(F)c2)cc1C
InChIInChI=1S/C19H16F2O2S2/c1-11-4-5-13(6-12(11)2)15-9-24-10-16(15)14-7-17(20)19(18(21)8-14)25(3,22)23/h4-10H,1-3H3
InChIKeyFOIPFKQQBXCRAY-UHFFFAOYSA-N
MW378.47 g/mol
LogP5.38
Rot. Bonds3

About 3-(3,5-difluoro-4-methylsulfonylphenyl)-4-(3,4-dimethylphenyl)thiophene

3-(3,5-difluoro-4-methylsulfonylphenyl)-4-(3,4-dimethylphenyl)thiophene (PubChem CID 22746938) has the molecular formula C19H16F2O2S2 and a molecular weight of 378.47 g/mol. Its IUPAC name is 3-(3,5-difluoro-4-methylsulfonylphenyl)-4-(3,4-dimethylphenyl)thiophene.

Molecular Properties

Compound Name3-(3,5-difluoro-4-methylsulfonylphenyl)-4-(3,4-dimethylphenyl)thiophene
PubChem CID22746938
Molecular FormulaC19H16F2O2S2
Molecular Weight378.47 g/mol
Exact Mass378.06
IUPAC Name3-(3,5-difluoro-4-methylsulfonylphenyl)-4-(3,4-dimethylphenyl)thiophene
SMILESCc1ccc(-c2cscc2-c2cc(F)c(S(C)(=O)=O)c(F)c2)cc1C
InChIInChI=1S/C19H16F2O2S2/c1-11-4-5-13(6-12(11)2)15-9-24-10-16(15)14-7-17(20)19(18(21)8-14)25(3,22)23/h4-10H,1-3H3
InChIKeyFOIPFKQQBXCRAY-UHFFFAOYSA-N
XLogP5.38
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.47
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluoro-4-methylsulfonylphenyl)-4-(3,4-dimethylphenyl)thiophene?
The IUPAC name of 3-(3,5-difluoro-4-methylsulfonylphenyl)-4-(3,4-dimethylphenyl)thiophene (CID 22746938) is 3-(3,5-difluoro-4-methylsulfonylphenyl)-4-(3,4-dimethylphenyl)thiophene.
What is the SMILES notation for 3-(3,5-difluoro-4-methylsulfonylphenyl)-4-(3,4-dimethylphenyl)thiophene?
The canonical SMILES for 3-(3,5-difluoro-4-methylsulfonylphenyl)-4-(3,4-dimethylphenyl)thiophene is Cc1ccc(-c2cscc2-c2cc(F)c(S(C)(=O)=O)c(F)c2)cc1C.
What is the InChIKey of 3-(3,5-difluoro-4-methylsulfonylphenyl)-4-(3,4-dimethylphenyl)thiophene?
The InChIKey is FOIPFKQQBXCRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2O2S2/c1-11-4-5-13(6-12(11)2)15-9-24-10-16(15)14-7-17(20)19(18(21)8-14)25(3,22)23/h4-10H,1-3H3.
What are the key properties of 3-(3,5-difluoro-4-methylsulfonylphenyl)-4-(3,4-dimethylphenyl)thiophene?
3-(3,5-difluoro-4-methylsulfonylphenyl)-4-(3,4-dimethylphenyl)thiophene has a molecular weight of 378.47 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluoro-4-methylsulfonylphenyl)-4-(3,4-dimethylphenyl)thiophene is sourced from PubChem (CID 22746938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).