5-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindole-2-carbaldehyde

C23H19NO3S — CID 54751837

IUPAC5-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindole-2-carbaldehyde
SMILESCc1ccc(S(=O)(=O)n2c(C=O)c(-c3ccccc3)c3cc(C)ccc32)cc1
InChIInChI=1S/C23H19NO3S/c1-16-8-11-19(12-9-16)28(26,27)24-21-13-10-17(2)14-20(21)23(22(24)15-25)18-6-4-3-5-7-18/h3-15H,1-2H3
InChIKeyNXDCNJBNKAJXCN-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.97
Rot. Bonds4

About 5-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindole-2-carbaldehyde

5-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindole-2-carbaldehyde (PubChem CID 54751837) has the molecular formula C23H19NO3S and a molecular weight of 389.48 g/mol. Its IUPAC name is 5-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindole-2-carbaldehyde.

Molecular Properties

Compound Name5-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindole-2-carbaldehyde
PubChem CID54751837
Molecular FormulaC23H19NO3S
Molecular Weight389.48 g/mol
Exact Mass389.11
IUPAC Name5-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindole-2-carbaldehyde
SMILESCc1ccc(S(=O)(=O)n2c(C=O)c(-c3ccccc3)c3cc(C)ccc32)cc1
InChIInChI=1S/C23H19NO3S/c1-16-8-11-19(12-9-16)28(26,27)24-21-13-10-17(2)14-20(21)23(22(24)15-25)18-6-4-3-5-7-18/h3-15H,1-2H3
InChIKeyNXDCNJBNKAJXCN-UHFFFAOYSA-N
XLogP4.97
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-bromophenyl)-2-ethenyl-1-(4-methylphenyl)sulfonylindole
CID 139187424
5-bromo-4-deuterio-1-(4-methylphenyl)sulfonyl-2-methylsulfanyl-3-phenylindole
CID 175784611
[1-(4-methylphenyl)sulfonyl-3-phenylindol-2-yl]methylphosphane
CID 175023681
5-chloro-4-deuterio-1-(4-methylphenyl)sulfonyl-2-methylsulfanyl-3-phenylindole
CID 175784604
6-methyl-1-(4-methylphenyl)sulfonyl-2-phenylindole
CID 138983532
1-(benzenesulfonyl)-3-(4-hydroxyphenyl)pyrrolo[2,3-c]pyridine-2-carbaldehyde
CID 86294867
1-(benzenesulfonyl)-5-chloro-3-[ethoxy-(4-methylphenyl)phosphanyl]indole-2-carbaldehyde
CID 143275051
3-butan-2-yl-2-fluoro-5-methyl-1-(4-methylphenyl)sulfonylindole
CID 132594480
3-(3-carbazol-9-ylcarbazol-9-yl)-9-[9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazol-3-yl]carbazole
CID 24814813
3-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]-9-[9-[9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazole
CID 25209134
2-(4-chlorophenyl)-5-fluoro-3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylindole
CID 132506395
4-deuterio-1-(4-methylphenyl)sulfonyl-2-methylsulfanyl-3-phenyl-6-(trifluoromethyl)indole
CID 175784563

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindole-2-carbaldehyde?
The IUPAC name of 5-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindole-2-carbaldehyde (CID 54751837) is 5-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindole-2-carbaldehyde.
What is the SMILES notation for 5-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindole-2-carbaldehyde?
The canonical SMILES for 5-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindole-2-carbaldehyde is Cc1ccc(S(=O)(=O)n2c(C=O)c(-c3ccccc3)c3cc(C)ccc32)cc1.
What is the InChIKey of 5-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindole-2-carbaldehyde?
The InChIKey is NXDCNJBNKAJXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO3S/c1-16-8-11-19(12-9-16)28(26,27)24-21-13-10-17(2)14-20(21)23(22(24)15-25)18-6-4-3-5-7-18/h3-15H,1-2H3.
What are the key properties of 5-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindole-2-carbaldehyde?
5-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindole-2-carbaldehyde has a molecular weight of 389.48 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindole-2-carbaldehyde is sourced from PubChem (CID 54751837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).