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

C17H12N2O4S — CID 53320345

IUPAC2-(4-methylphenyl)sulfonylimidazo[1,5-a]indole-1,3-dione
SMILESCc1ccc(S(=O)(=O)N2C(=O)c3cc4ccccc4n3C2=O)cc1
InChIInChI=1S/C17H12N2O4S/c1-11-6-8-13(9-7-11)24(22,23)19-16(20)15-10-12-4-2-3-5-14(12)18(15)17(19)21/h2-10H,1H3
InChIKeyFGUKGHGNGBQUMN-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.76
Rot. Bonds2

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

2-(4-methylphenyl)sulfonylimidazo[1,5-a]indole-1,3-dione (PubChem CID 53320345) has the molecular formula C17H12N2O4S and a molecular weight of 340.36 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfonylimidazo[1,5-a]indole-1,3-dione.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfonylimidazo[1,5-a]indole-1,3-dione
PubChem CID53320345
Molecular FormulaC17H12N2O4S
Molecular Weight340.36 g/mol
Exact Mass340.05
IUPAC Name2-(4-methylphenyl)sulfonylimidazo[1,5-a]indole-1,3-dione
SMILESCc1ccc(S(=O)(=O)N2C(=O)c3cc4ccccc4n3C2=O)cc1
InChIInChI=1S/C17H12N2O4S/c1-11-6-8-13(9-7-11)24(22,23)19-16(20)15-10-12-4-2-3-5-14(12)18(15)17(19)21/h2-10H,1H3
InChIKeyFGUKGHGNGBQUMN-UHFFFAOYSA-N
XLogP2.76
TPSA76.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dichlorophenyl)sulfonylimidazo[1,5-a]indole-1,3-dione
CID 57340234
4-(benzenesulfonyl)-2,4,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraene-3,5-dione
CID 53317841
2-fluoro-1-(4-methylphenyl)sulfonylindole
CID 14921041
2-(bromomethyl)-1-(4-methylphenyl)sulfonylindole
CID 19047864
2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylindole
CID 139694978
1-(4-methylphenyl)sulfonylquinolin-2-one
CID 11652332
6-methyl-1-(4-methylphenyl)sulfonyl-2-phenylindole
CID 138983532
1,2-bis(4-methylphenyl)indole
CID 151814608
5-indol-1-yl-1-(4-methylphenyl)sulfonylindole
CID 177408616
2-benzyl-1-(4-methylphenyl)sulfonylindole
CID 139092275
3-butyl-1-(4-methylphenyl)sulfonylquinolin-2-one
CID 162411610
3-(3-carbazol-9-ylcarbazol-9-yl)-9-[9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazol-3-yl]carbazole
CID 24814813

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfonylimidazo[1,5-a]indole-1,3-dione?
The IUPAC name of 2-(4-methylphenyl)sulfonylimidazo[1,5-a]indole-1,3-dione (CID 53320345) is 2-(4-methylphenyl)sulfonylimidazo[1,5-a]indole-1,3-dione.
What is the SMILES notation for 2-(4-methylphenyl)sulfonylimidazo[1,5-a]indole-1,3-dione?
The canonical SMILES for 2-(4-methylphenyl)sulfonylimidazo[1,5-a]indole-1,3-dione is Cc1ccc(S(=O)(=O)N2C(=O)c3cc4ccccc4n3C2=O)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfonylimidazo[1,5-a]indole-1,3-dione?
The InChIKey is FGUKGHGNGBQUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O4S/c1-11-6-8-13(9-7-11)24(22,23)19-16(20)15-10-12-4-2-3-5-14(12)18(15)17(19)21/h2-10H,1H3.
What are the key properties of 2-(4-methylphenyl)sulfonylimidazo[1,5-a]indole-1,3-dione?
2-(4-methylphenyl)sulfonylimidazo[1,5-a]indole-1,3-dione has a molecular weight of 340.36 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfonylimidazo[1,5-a]indole-1,3-dione is sourced from PubChem (CID 53320345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).