3-hydroxy-2-(4-methylphenyl)sulfonyl-4H-imidazo[1,5-a]indol-1-one

C17H14N2O4S — CID 91898973

IUPAC3-hydroxy-2-(4-methylphenyl)sulfonyl-4H-imidazo[1,5-a]indol-1-one
SMILESCc1ccc(S(=O)(=O)n2c(O)c3n(c2=O)-c2ccccc2C3)cc1
InChIInChI=1S/C17H14N2O4S/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/h2-9,20H,10H2,1H3
InChIKeyYRNVLACLXWBYLK-UHFFFAOYSA-N
MW342.38 g/mol
LogP1.79
Rot. Bonds2

About 3-hydroxy-2-(4-methylphenyl)sulfonyl-4H-imidazo[1,5-a]indol-1-one

3-hydroxy-2-(4-methylphenyl)sulfonyl-4H-imidazo[1,5-a]indol-1-one (PubChem CID 91898973) has the molecular formula C17H14N2O4S and a molecular weight of 342.38 g/mol. Its IUPAC name is 3-hydroxy-2-(4-methylphenyl)sulfonyl-4H-imidazo[1,5-a]indol-1-one.

Molecular Properties

Compound Name3-hydroxy-2-(4-methylphenyl)sulfonyl-4H-imidazo[1,5-a]indol-1-one
PubChem CID91898973
Molecular FormulaC17H14N2O4S
Molecular Weight342.38 g/mol
Exact Mass342.07
IUPAC Name3-hydroxy-2-(4-methylphenyl)sulfonyl-4H-imidazo[1,5-a]indol-1-one
SMILESCc1ccc(S(=O)(=O)n2c(O)c3n(c2=O)-c2ccccc2C3)cc1
InChIInChI=1S/C17H14N2O4S/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/h2-9,20H,10H2,1H3
InChIKeyYRNVLACLXWBYLK-UHFFFAOYSA-N
XLogP1.79
TPSA81.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(4-methylphenyl)sulfonyl-4H-imidazo[1,5-a]indol-1-one?
The IUPAC name of 3-hydroxy-2-(4-methylphenyl)sulfonyl-4H-imidazo[1,5-a]indol-1-one (CID 91898973) is 3-hydroxy-2-(4-methylphenyl)sulfonyl-4H-imidazo[1,5-a]indol-1-one.
What is the SMILES notation for 3-hydroxy-2-(4-methylphenyl)sulfonyl-4H-imidazo[1,5-a]indol-1-one?
The canonical SMILES for 3-hydroxy-2-(4-methylphenyl)sulfonyl-4H-imidazo[1,5-a]indol-1-one is Cc1ccc(S(=O)(=O)n2c(O)c3n(c2=O)-c2ccccc2C3)cc1.
What is the InChIKey of 3-hydroxy-2-(4-methylphenyl)sulfonyl-4H-imidazo[1,5-a]indol-1-one?
The InChIKey is YRNVLACLXWBYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4S/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/h2-9,20H,10H2,1H3.
What are the key properties of 3-hydroxy-2-(4-methylphenyl)sulfonyl-4H-imidazo[1,5-a]indol-1-one?
3-hydroxy-2-(4-methylphenyl)sulfonyl-4H-imidazo[1,5-a]indol-1-one has a molecular weight of 342.38 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(4-methylphenyl)sulfonyl-4H-imidazo[1,5-a]indol-1-one is sourced from PubChem (CID 91898973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).