5-methyl-2-(4-methylsulfonylphenyl)-3-phenyl-1H-indole

C22H19NO2S — CID 22285778

IUPAC5-methyl-2-(4-methylsulfonylphenyl)-3-phenyl-1H-indole
SMILESCc1ccc2[nH]c(-c3ccc(S(C)(=O)=O)cc3)c(-c3ccccc3)c2c1
InChIInChI=1S/C22H19NO2S/c1-15-8-13-20-19(14-15)21(16-6-4-3-5-7-16)22(23-20)17-9-11-18(12-10-17)26(2,24)25/h3-14,23H,1-2H3
InChIKeyVFTJNWIPDOVECS-UHFFFAOYSA-N
MW361.47 g/mol
LogP5.21
Rot. Bonds3

About 5-methyl-2-(4-methylsulfonylphenyl)-3-phenyl-1H-indole

5-methyl-2-(4-methylsulfonylphenyl)-3-phenyl-1H-indole (PubChem CID 22285778) has the molecular formula C22H19NO2S and a molecular weight of 361.47 g/mol. Its IUPAC name is 5-methyl-2-(4-methylsulfonylphenyl)-3-phenyl-1H-indole.

Molecular Properties

Compound Name5-methyl-2-(4-methylsulfonylphenyl)-3-phenyl-1H-indole
PubChem CID22285778
Molecular FormulaC22H19NO2S
Molecular Weight361.47 g/mol
Exact Mass361.11
IUPAC Name5-methyl-2-(4-methylsulfonylphenyl)-3-phenyl-1H-indole
SMILESCc1ccc2[nH]c(-c3ccc(S(C)(=O)=O)cc3)c(-c3ccccc3)c2c1
InChIInChI=1S/C22H19NO2S/c1-15-8-13-20-19(14-15)21(16-6-4-3-5-7-16)22(23-20)17-9-11-18(12-10-17)26(2,24)25/h3-14,23H,1-2H3
InChIKeyVFTJNWIPDOVECS-UHFFFAOYSA-N
XLogP5.21
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.47
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-methylsulfonylphenyl)-3-phenyl-1H-indole?
The IUPAC name of 5-methyl-2-(4-methylsulfonylphenyl)-3-phenyl-1H-indole (CID 22285778) is 5-methyl-2-(4-methylsulfonylphenyl)-3-phenyl-1H-indole.
What is the SMILES notation for 5-methyl-2-(4-methylsulfonylphenyl)-3-phenyl-1H-indole?
The canonical SMILES for 5-methyl-2-(4-methylsulfonylphenyl)-3-phenyl-1H-indole is Cc1ccc2[nH]c(-c3ccc(S(C)(=O)=O)cc3)c(-c3ccccc3)c2c1.
What is the InChIKey of 5-methyl-2-(4-methylsulfonylphenyl)-3-phenyl-1H-indole?
The InChIKey is VFTJNWIPDOVECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2S/c1-15-8-13-20-19(14-15)21(16-6-4-3-5-7-16)22(23-20)17-9-11-18(12-10-17)26(2,24)25/h3-14,23H,1-2H3.
What are the key properties of 5-methyl-2-(4-methylsulfonylphenyl)-3-phenyl-1H-indole?
5-methyl-2-(4-methylsulfonylphenyl)-3-phenyl-1H-indole has a molecular weight of 361.47 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-methylsulfonylphenyl)-3-phenyl-1H-indole is sourced from PubChem (CID 22285778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).