2-(2,5-difluorophenyl)sulfanyl-1-(1,3-dihydroisoindol-2-yl)ethanone

C16H13F2NOS — CID 166512129

IUPAC2-(2,5-difluorophenyl)sulfanyl-1-(1,3-dihydroisoindol-2-yl)ethanone
SMILESO=C(CSc1cc(F)ccc1F)N1Cc2ccccc2C1
InChIInChI=1S/C16H13F2NOS/c17-13-5-6-14(18)15(7-13)21-10-16(20)19-8-11-3-1-2-4-12(11)9-19/h1-7H,8-10H2
InChIKeyFWLSIJMDGZFQMU-UHFFFAOYSA-N
MW305.35 g/mol
LogP3.60
Rot. Bonds3

About 2-(2,5-difluorophenyl)sulfanyl-1-(1,3-dihydroisoindol-2-yl)ethanone

2-(2,5-difluorophenyl)sulfanyl-1-(1,3-dihydroisoindol-2-yl)ethanone (PubChem CID 166512129) has the molecular formula C16H13F2NOS and a molecular weight of 305.35 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)sulfanyl-1-(1,3-dihydroisoindol-2-yl)ethanone.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)sulfanyl-1-(1,3-dihydroisoindol-2-yl)ethanone
PubChem CID166512129
Molecular FormulaC16H13F2NOS
Molecular Weight305.35 g/mol
Exact Mass305.07
IUPAC Name2-(2,5-difluorophenyl)sulfanyl-1-(1,3-dihydroisoindol-2-yl)ethanone
SMILESO=C(CSc1cc(F)ccc1F)N1Cc2ccccc2C1
InChIInChI=1S/C16H13F2NOS/c17-13-5-6-14(18)15(7-13)21-10-16(20)19-8-11-3-1-2-4-12(11)9-19/h1-7H,8-10H2
InChIKeyFWLSIJMDGZFQMU-UHFFFAOYSA-N
XLogP3.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2,5-difluorophenyl)sulfanyl-1-(1,3-dihydroisoindol-2-yl)ethanone 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 2-(2,5-difluorophenyl)sulfanyl-1-(1,3-dihydroisoindol-2-yl)ethanone?
The IUPAC name of 2-(2,5-difluorophenyl)sulfanyl-1-(1,3-dihydroisoindol-2-yl)ethanone (CID 166512129) is 2-(2,5-difluorophenyl)sulfanyl-1-(1,3-dihydroisoindol-2-yl)ethanone.
What is the SMILES notation for 2-(2,5-difluorophenyl)sulfanyl-1-(1,3-dihydroisoindol-2-yl)ethanone?
The canonical SMILES for 2-(2,5-difluorophenyl)sulfanyl-1-(1,3-dihydroisoindol-2-yl)ethanone is O=C(CSc1cc(F)ccc1F)N1Cc2ccccc2C1.
What is the InChIKey of 2-(2,5-difluorophenyl)sulfanyl-1-(1,3-dihydroisoindol-2-yl)ethanone?
The InChIKey is FWLSIJMDGZFQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NOS/c17-13-5-6-14(18)15(7-13)21-10-16(20)19-8-11-3-1-2-4-12(11)9-19/h1-7H,8-10H2.
What are the key properties of 2-(2,5-difluorophenyl)sulfanyl-1-(1,3-dihydroisoindol-2-yl)ethanone?
2-(2,5-difluorophenyl)sulfanyl-1-(1,3-dihydroisoindol-2-yl)ethanone has a molecular weight of 305.35 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)sulfanyl-1-(1,3-dihydroisoindol-2-yl)ethanone is sourced from PubChem (CID 166512129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).