5-chloro-6-(3,4-difluorophenyl)sulfanyl-1H-indole-2,3-dione

C14H6ClF2NO2S — CID 79342988

IUPAC5-chloro-6-(3,4-difluorophenyl)sulfanyl-1H-indole-2,3-dione
SMILESO=C1Nc2cc(Sc3ccc(F)c(F)c3)c(Cl)cc2C1=O
InChIInChI=1S/C14H6ClF2NO2S/c15-8-4-7-11(18-14(20)13(7)19)5-12(8)21-6-1-2-9(16)10(17)3-6/h1-5H,(H,18,19,20)
InChIKeyCCSRRURMPPAVMX-UHFFFAOYSA-N
MW325.72 g/mol
LogP3.90
Rot. Bonds2

About 5-chloro-6-(3,4-difluorophenyl)sulfanyl-1H-indole-2,3-dione

5-chloro-6-(3,4-difluorophenyl)sulfanyl-1H-indole-2,3-dione (PubChem CID 79342988) has the molecular formula C14H6ClF2NO2S and a molecular weight of 325.72 g/mol. Its IUPAC name is 5-chloro-6-(3,4-difluorophenyl)sulfanyl-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-chloro-6-(3,4-difluorophenyl)sulfanyl-1H-indole-2,3-dione
PubChem CID79342988
Molecular FormulaC14H6ClF2NO2S
Molecular Weight325.72 g/mol
Exact Mass324.98
IUPAC Name5-chloro-6-(3,4-difluorophenyl)sulfanyl-1H-indole-2,3-dione
SMILESO=C1Nc2cc(Sc3ccc(F)c(F)c3)c(Cl)cc2C1=O
InChIInChI=1S/C14H6ClF2NO2S/c15-8-4-7-11(18-14(20)13(7)19)5-12(8)21-6-1-2-9(16)10(17)3-6/h1-5H,(H,18,19,20)
InChIKeyCCSRRURMPPAVMX-UHFFFAOYSA-N
XLogP3.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.72
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 5-chloro-6-(3,4-difluorophenyl)sulfanyl-1H-indole-2,3-dione 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 5-chloro-6-(3,4-difluorophenyl)sulfanyl-1H-indole-2,3-dione?
The IUPAC name of 5-chloro-6-(3,4-difluorophenyl)sulfanyl-1H-indole-2,3-dione (CID 79342988) is 5-chloro-6-(3,4-difluorophenyl)sulfanyl-1H-indole-2,3-dione.
What is the SMILES notation for 5-chloro-6-(3,4-difluorophenyl)sulfanyl-1H-indole-2,3-dione?
The canonical SMILES for 5-chloro-6-(3,4-difluorophenyl)sulfanyl-1H-indole-2,3-dione is O=C1Nc2cc(Sc3ccc(F)c(F)c3)c(Cl)cc2C1=O.
What is the InChIKey of 5-chloro-6-(3,4-difluorophenyl)sulfanyl-1H-indole-2,3-dione?
The InChIKey is CCSRRURMPPAVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6ClF2NO2S/c15-8-4-7-11(18-14(20)13(7)19)5-12(8)21-6-1-2-9(16)10(17)3-6/h1-5H,(H,18,19,20).
What are the key properties of 5-chloro-6-(3,4-difluorophenyl)sulfanyl-1H-indole-2,3-dione?
5-chloro-6-(3,4-difluorophenyl)sulfanyl-1H-indole-2,3-dione has a molecular weight of 325.72 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(3,4-difluorophenyl)sulfanyl-1H-indole-2,3-dione is sourced from PubChem (CID 79342988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).