3-(3,5-difluorophenyl)-4-(3-fluoro-4-methylsulfonylphenyl)thiophene

C17H11F3O2S2 — CID 18183335

IUPAC3-(3,5-difluorophenyl)-4-(3-fluoro-4-methylsulfonylphenyl)thiophene
SMILESCS(=O)(=O)c1ccc(-c2cscc2-c2cc(F)cc(F)c2)cc1F
InChIInChI=1S/C17H11F3O2S2/c1-24(21,22)17-3-2-10(6-16(17)20)14-8-23-9-15(14)11-4-12(18)7-13(19)5-11/h2-9H,1H3
InChIKeyCBSWBXVTXINARW-UHFFFAOYSA-N
MW368.40 g/mol
LogP4.90
Rot. Bonds3

About 3-(3,5-difluorophenyl)-4-(3-fluoro-4-methylsulfonylphenyl)thiophene

3-(3,5-difluorophenyl)-4-(3-fluoro-4-methylsulfonylphenyl)thiophene (PubChem CID 18183335) has the molecular formula C17H11F3O2S2 and a molecular weight of 368.40 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)-4-(3-fluoro-4-methylsulfonylphenyl)thiophene.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)-4-(3-fluoro-4-methylsulfonylphenyl)thiophene
PubChem CID18183335
Molecular FormulaC17H11F3O2S2
Molecular Weight368.40 g/mol
Exact Mass368.02
IUPAC Name3-(3,5-difluorophenyl)-4-(3-fluoro-4-methylsulfonylphenyl)thiophene
SMILESCS(=O)(=O)c1ccc(-c2cscc2-c2cc(F)cc(F)c2)cc1F
InChIInChI=1S/C17H11F3O2S2/c1-24(21,22)17-3-2-10(6-16(17)20)14-8-23-9-15(14)11-4-12(18)7-13(19)5-11/h2-9H,1H3
InChIKeyCBSWBXVTXINARW-UHFFFAOYSA-N
XLogP4.90
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenyl)-4-(3-fluoro-4-methylsulfonylphenyl)thiophene?
The IUPAC name of 3-(3,5-difluorophenyl)-4-(3-fluoro-4-methylsulfonylphenyl)thiophene (CID 18183335) is 3-(3,5-difluorophenyl)-4-(3-fluoro-4-methylsulfonylphenyl)thiophene.
What is the SMILES notation for 3-(3,5-difluorophenyl)-4-(3-fluoro-4-methylsulfonylphenyl)thiophene?
The canonical SMILES for 3-(3,5-difluorophenyl)-4-(3-fluoro-4-methylsulfonylphenyl)thiophene is CS(=O)(=O)c1ccc(-c2cscc2-c2cc(F)cc(F)c2)cc1F.
What is the InChIKey of 3-(3,5-difluorophenyl)-4-(3-fluoro-4-methylsulfonylphenyl)thiophene?
The InChIKey is CBSWBXVTXINARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3O2S2/c1-24(21,22)17-3-2-10(6-16(17)20)14-8-23-9-15(14)11-4-12(18)7-13(19)5-11/h2-9H,1H3.
What are the key properties of 3-(3,5-difluorophenyl)-4-(3-fluoro-4-methylsulfonylphenyl)thiophene?
3-(3,5-difluorophenyl)-4-(3-fluoro-4-methylsulfonylphenyl)thiophene has a molecular weight of 368.40 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenyl)-4-(3-fluoro-4-methylsulfonylphenyl)thiophene is sourced from PubChem (CID 18183335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).