3-benzyl-2-(4-methylphenyl)sulfonyl-4H-indeno[1,2-c]pyrrole

C25H21NO2S — CID 154715131

IUPAC3-benzyl-2-(4-methylphenyl)sulfonyl-4H-indeno[1,2-c]pyrrole
SMILESCc1ccc(S(=O)(=O)n2cc3c(c2Cc2ccccc2)Cc2ccccc2-3)cc1
InChIInChI=1S/C25H21NO2S/c1-18-11-13-21(14-12-18)29(27,28)26-17-24-22-10-6-5-9-20(22)16-23(24)25(26)15-19-7-3-2-4-8-19/h2-14,17H,15-16H2,1H3
InChIKeyWRWZIUHQFXOBNN-UHFFFAOYSA-N
MW399.52 g/mol
LogP5.20
Rot. Bonds4

About 3-benzyl-2-(4-methylphenyl)sulfonyl-4H-indeno[1,2-c]pyrrole

3-benzyl-2-(4-methylphenyl)sulfonyl-4H-indeno[1,2-c]pyrrole (PubChem CID 154715131) has the molecular formula C25H21NO2S and a molecular weight of 399.52 g/mol. Its IUPAC name is 3-benzyl-2-(4-methylphenyl)sulfonyl-4H-indeno[1,2-c]pyrrole.

Molecular Properties

Compound Name3-benzyl-2-(4-methylphenyl)sulfonyl-4H-indeno[1,2-c]pyrrole
PubChem CID154715131
Molecular FormulaC25H21NO2S
Molecular Weight399.52 g/mol
Exact Mass399.13
IUPAC Name3-benzyl-2-(4-methylphenyl)sulfonyl-4H-indeno[1,2-c]pyrrole
SMILESCc1ccc(S(=O)(=O)n2cc3c(c2Cc2ccccc2)Cc2ccccc2-3)cc1
InChIInChI=1S/C25H21NO2S/c1-18-11-13-21(14-12-18)29(27,28)26-17-24-22-10-6-5-9-20(22)16-23(24)25(26)15-19-7-3-2-4-8-19/h2-14,17H,15-16H2,1H3
InChIKeyWRWZIUHQFXOBNN-UHFFFAOYSA-N
XLogP5.20
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.52
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)sulfonyl-3-phenyl-4,5,6,7-tetrahydroindole
CID 134950379
2-methyl-1-(4-methylphenyl)sulfonyl-4-(2-phenylethyl)imidazole
CID 102232968
1-[(4-methylphenyl)methyl]-10H-anthracen-9-one
CID 158681595
3-benzyl-5-methyl-1-(4-methylphenyl)sulfonyl-1,2,4-triazole
CID 11198203
benzylbenzene;ethane;9H-fluorene;pyrene;toluene
CID 157273743
2-ethyl-1-(4-methylphenyl)sulfonyl-4-(2-phenylethyl)imidazole
CID 102232970
2-benzyl-1-(4-methylphenyl)sulfonyl-4-phenyl-4,5-dihydroimidazole
CID 53483626
4-benzyl-1-(4-methylphenyl)sulfonylpyrazole-5-carboxylic acid
CID 20623727
1-benzyl-4-methylbenzene;toluene
CID 144690555
2-benzyl-1-(4-methylphenyl)sulfonylindole
CID 139092275
4-(methoxymethyl)-1-(4-methylphenyl)sulfonyl-2-phenylpyrrole
CID 70688086
3-methyl-4-[(4-methylphenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrole
CID 175313676

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-(4-methylphenyl)sulfonyl-4H-indeno[1,2-c]pyrrole?
The IUPAC name of 3-benzyl-2-(4-methylphenyl)sulfonyl-4H-indeno[1,2-c]pyrrole (CID 154715131) is 3-benzyl-2-(4-methylphenyl)sulfonyl-4H-indeno[1,2-c]pyrrole.
What is the SMILES notation for 3-benzyl-2-(4-methylphenyl)sulfonyl-4H-indeno[1,2-c]pyrrole?
The canonical SMILES for 3-benzyl-2-(4-methylphenyl)sulfonyl-4H-indeno[1,2-c]pyrrole is Cc1ccc(S(=O)(=O)n2cc3c(c2Cc2ccccc2)Cc2ccccc2-3)cc1.
What is the InChIKey of 3-benzyl-2-(4-methylphenyl)sulfonyl-4H-indeno[1,2-c]pyrrole?
The InChIKey is WRWZIUHQFXOBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO2S/c1-18-11-13-21(14-12-18)29(27,28)26-17-24-22-10-6-5-9-20(22)16-23(24)25(26)15-19-7-3-2-4-8-19/h2-14,17H,15-16H2,1H3.
What are the key properties of 3-benzyl-2-(4-methylphenyl)sulfonyl-4H-indeno[1,2-c]pyrrole?
3-benzyl-2-(4-methylphenyl)sulfonyl-4H-indeno[1,2-c]pyrrole has a molecular weight of 399.52 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-(4-methylphenyl)sulfonyl-4H-indeno[1,2-c]pyrrole is sourced from PubChem (CID 154715131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).