2-(4-methoxyphenyl)-4-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindole

C29H25NO3S — CID 162398288

IUPAC2-(4-methoxyphenyl)-4-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindole
SMILESCOc1ccc(-c2c(-c3ccccc3)c3c(C)cccc3n2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C29H25NO3S/c1-20-12-18-25(19-13-20)34(31,32)30-26-11-7-8-21(2)27(26)28(22-9-5-4-6-10-22)29(30)23-14-16-24(33-3)17-15-23/h4-19H,1-3H3
InChIKeyJRRQZVZGJXIKAM-UHFFFAOYSA-N
MW467.59 g/mol
LogP6.84
Rot. Bonds5

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

2-(4-methoxyphenyl)-4-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindole (PubChem CID 162398288) has the molecular formula C29H25NO3S and a molecular weight of 467.59 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindole
PubChem CID162398288
Molecular FormulaC29H25NO3S
Molecular Weight467.59 g/mol
Exact Mass467.16
IUPAC Name2-(4-methoxyphenyl)-4-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindole
SMILESCOc1ccc(-c2c(-c3ccccc3)c3c(C)cccc3n2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C29H25NO3S/c1-20-12-18-25(19-13-20)34(31,32)30-26-11-7-8-21(2)27(26)28(22-9-5-4-6-10-22)29(30)23-14-16-24(33-3)17-15-23/h4-19H,1-3H3
InChIKeyJRRQZVZGJXIKAM-UHFFFAOYSA-N
XLogP6.84
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.59
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-bis(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylindole
CID 102128726
1-(4-methoxyphenyl)sulfonyl-2-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole
CID 102265650
[1-(4-methylphenyl)sulfonyl-3-phenylindol-2-yl]methylphosphane
CID 175023681
9-(benzenesulfonyl)-4-methylcarbazole
CID 14594808
3-[1-(4-methylphenyl)sulfonyl-3-phenylindol-2-yl]-1-naphthalen-1-ylpropan-1-one
CID 73057636
13,18-bis-(4-methylphenyl)sulfonyl-13,18-diazaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene
CID 177415197
7,28-dimethoxy-17,18-dimethyl-13,22-bis-(4-methylphenyl)sulfonyl-13,22-diazaoctacyclo[19.11.0.02,14.03,12.04,9.015,20.023,32.026,31]dotriaconta-1(21),2(14),3(12),4(9),5,7,10,15(20),16,18,23(32),24,26(31),27,29-pentadecaene
CID 122202639
1-(4-methoxyphenyl)-3,5-bis(4-methylphenyl)-4-phenylpyrazole
CID 56589754
3-(difluoromethylsulfanyl)-1-(4-methylphenyl)sulfonyl-2-phenylindole
CID 175597794
methane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene
CID 160612603
1-(4-methylphenyl)sulfonylquinolin-2-one
CID 11652332
1-(4-methoxyphenyl)sulfonyl-3-methylindole
CID 66853930

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindole?
The IUPAC name of 2-(4-methoxyphenyl)-4-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindole (CID 162398288) is 2-(4-methoxyphenyl)-4-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindole.
What is the SMILES notation for 2-(4-methoxyphenyl)-4-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindole?
The canonical SMILES for 2-(4-methoxyphenyl)-4-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindole is COc1ccc(-c2c(-c3ccccc3)c3c(C)cccc3n2S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindole?
The InChIKey is JRRQZVZGJXIKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25NO3S/c1-20-12-18-25(19-13-20)34(31,32)30-26-11-7-8-21(2)27(26)28(22-9-5-4-6-10-22)29(30)23-14-16-24(33-3)17-15-23/h4-19H,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-4-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindole?
2-(4-methoxyphenyl)-4-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindole has a molecular weight of 467.59 g/mol, XLogP of 6.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-4-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindole is sourced from PubChem (CID 162398288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).