1-[2-[4-(benzenesulfonyl)phenyl]ethyl]-2,4-difluorobenzene

C20H16F2O2S — CID 21099424

IUPAC1-[2-[4-(benzenesulfonyl)phenyl]ethyl]-2,4-difluorobenzene
SMILESO=S(=O)(c1ccccc1)c1ccc(CCc2ccc(F)cc2F)cc1
InChIInChI=1S/C20H16F2O2S/c21-17-11-10-16(20(22)14-17)9-6-15-7-12-19(13-8-15)25(23,24)18-4-2-1-3-5-18/h1-5,7-8,10-14H,6,9H2
InChIKeyNFZVIQPFHKWWOS-UHFFFAOYSA-N
MW358.41 g/mol
LogP4.58
Rot. Bonds5

About 1-[2-[4-(benzenesulfonyl)phenyl]ethyl]-2,4-difluorobenzene

1-[2-[4-(benzenesulfonyl)phenyl]ethyl]-2,4-difluorobenzene (PubChem CID 21099424) has the molecular formula C20H16F2O2S and a molecular weight of 358.41 g/mol. Its IUPAC name is 1-[2-[4-(benzenesulfonyl)phenyl]ethyl]-2,4-difluorobenzene.

Molecular Properties

Compound Name1-[2-[4-(benzenesulfonyl)phenyl]ethyl]-2,4-difluorobenzene
PubChem CID21099424
Molecular FormulaC20H16F2O2S
Molecular Weight358.41 g/mol
Exact Mass358.08
IUPAC Name1-[2-[4-(benzenesulfonyl)phenyl]ethyl]-2,4-difluorobenzene
SMILESO=S(=O)(c1ccccc1)c1ccc(CCc2ccc(F)cc2F)cc1
InChIInChI=1S/C20H16F2O2S/c21-17-11-10-16(20(22)14-17)9-6-15-7-12-19(13-8-15)25(23,24)18-4-2-1-3-5-18/h1-5,7-8,10-14H,6,9H2
InChIKeyNFZVIQPFHKWWOS-UHFFFAOYSA-N
XLogP4.58
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-[4-(benzenesulfonyl)phenyl]ethyl]-2,4-difluorobenzene 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 1-[2-[4-(benzenesulfonyl)phenyl]ethyl]-2,4-difluorobenzene?
The IUPAC name of 1-[2-[4-(benzenesulfonyl)phenyl]ethyl]-2,4-difluorobenzene (CID 21099424) is 1-[2-[4-(benzenesulfonyl)phenyl]ethyl]-2,4-difluorobenzene.
What is the SMILES notation for 1-[2-[4-(benzenesulfonyl)phenyl]ethyl]-2,4-difluorobenzene?
The canonical SMILES for 1-[2-[4-(benzenesulfonyl)phenyl]ethyl]-2,4-difluorobenzene is O=S(=O)(c1ccccc1)c1ccc(CCc2ccc(F)cc2F)cc1.
What is the InChIKey of 1-[2-[4-(benzenesulfonyl)phenyl]ethyl]-2,4-difluorobenzene?
The InChIKey is NFZVIQPFHKWWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2O2S/c21-17-11-10-16(20(22)14-17)9-6-15-7-12-19(13-8-15)25(23,24)18-4-2-1-3-5-18/h1-5,7-8,10-14H,6,9H2.
What are the key properties of 1-[2-[4-(benzenesulfonyl)phenyl]ethyl]-2,4-difluorobenzene?
1-[2-[4-(benzenesulfonyl)phenyl]ethyl]-2,4-difluorobenzene has a molecular weight of 358.41 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(benzenesulfonyl)phenyl]ethyl]-2,4-difluorobenzene is sourced from PubChem (CID 21099424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).