2-(3,4-dichlorophenyl)sulfonylimidazo[1,5-a]indole-1,3-dione

C16H8Cl2N2O4S — CID 57340234

IUPAC2-(3,4-dichlorophenyl)sulfonylimidazo[1,5-a]indole-1,3-dione
SMILESO=C1c2cc3ccccc3n2C(=O)N1S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H8Cl2N2O4S/c17-11-6-5-10(8-12(11)18)25(23,24)20-15(21)14-7-9-3-1-2-4-13(9)19(14)16(20)22/h1-8H
InChIKeyFSHGBACDNFKATL-UHFFFAOYSA-N
MW395.22 g/mol
LogP3.76
Rot. Bonds2

About 2-(3,4-dichlorophenyl)sulfonylimidazo[1,5-a]indole-1,3-dione

2-(3,4-dichlorophenyl)sulfonylimidazo[1,5-a]indole-1,3-dione (PubChem CID 57340234) has the molecular formula C16H8Cl2N2O4S and a molecular weight of 395.22 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)sulfonylimidazo[1,5-a]indole-1,3-dione.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)sulfonylimidazo[1,5-a]indole-1,3-dione
PubChem CID57340234
Molecular FormulaC16H8Cl2N2O4S
Molecular Weight395.22 g/mol
Exact Mass393.96
IUPAC Name2-(3,4-dichlorophenyl)sulfonylimidazo[1,5-a]indole-1,3-dione
SMILESO=C1c2cc3ccccc3n2C(=O)N1S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H8Cl2N2O4S/c17-11-6-5-10(8-12(11)18)25(23,24)20-15(21)14-7-9-3-1-2-4-13(9)19(14)16(20)22/h1-8H
InChIKeyFSHGBACDNFKATL-UHFFFAOYSA-N
XLogP3.76
TPSA76.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.22
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)sulfonylimidazo[1,5-a]indole-1,3-dione?
The IUPAC name of 2-(3,4-dichlorophenyl)sulfonylimidazo[1,5-a]indole-1,3-dione (CID 57340234) is 2-(3,4-dichlorophenyl)sulfonylimidazo[1,5-a]indole-1,3-dione.
What is the SMILES notation for 2-(3,4-dichlorophenyl)sulfonylimidazo[1,5-a]indole-1,3-dione?
The canonical SMILES for 2-(3,4-dichlorophenyl)sulfonylimidazo[1,5-a]indole-1,3-dione is O=C1c2cc3ccccc3n2C(=O)N1S(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)sulfonylimidazo[1,5-a]indole-1,3-dione?
The InChIKey is FSHGBACDNFKATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Cl2N2O4S/c17-11-6-5-10(8-12(11)18)25(23,24)20-15(21)14-7-9-3-1-2-4-13(9)19(14)16(20)22/h1-8H.
What are the key properties of 2-(3,4-dichlorophenyl)sulfonylimidazo[1,5-a]indole-1,3-dione?
2-(3,4-dichlorophenyl)sulfonylimidazo[1,5-a]indole-1,3-dione has a molecular weight of 395.22 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)sulfonylimidazo[1,5-a]indole-1,3-dione is sourced from PubChem (CID 57340234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).