3-[(3-methoxyphenyl)-(4-methylphenyl)sulfonylmethyl]-2-phenyl-1H-indole

C29H25NO3S — CID 102307639

IUPAC3-[(3-methoxyphenyl)-(4-methylphenyl)sulfonylmethyl]-2-phenyl-1H-indole
SMILESCOc1cccc(C(c2c(-c3ccccc3)[nH]c3ccccc23)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C29H25NO3S/c1-20-15-17-24(18-16-20)34(31,32)29(22-11-8-12-23(19-22)33-2)27-25-13-6-7-14-26(25)30-28(27)21-9-4-3-5-10-21/h3-19,29-30H,1-2H3
InChIKeyAIXLNUQADIOOGG-UHFFFAOYSA-N
MW467.59 g/mol
LogP6.72
Rot. Bonds6

About 3-[(3-methoxyphenyl)-(4-methylphenyl)sulfonylmethyl]-2-phenyl-1H-indole

3-[(3-methoxyphenyl)-(4-methylphenyl)sulfonylmethyl]-2-phenyl-1H-indole (PubChem CID 102307639) has the molecular formula C29H25NO3S and a molecular weight of 467.59 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)-(4-methylphenyl)sulfonylmethyl]-2-phenyl-1H-indole.

Molecular Properties

Compound Name3-[(3-methoxyphenyl)-(4-methylphenyl)sulfonylmethyl]-2-phenyl-1H-indole
PubChem CID102307639
Molecular FormulaC29H25NO3S
Molecular Weight467.59 g/mol
Exact Mass467.16
IUPAC Name3-[(3-methoxyphenyl)-(4-methylphenyl)sulfonylmethyl]-2-phenyl-1H-indole
SMILESCOc1cccc(C(c2c(-c3ccccc3)[nH]c3ccccc23)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C29H25NO3S/c1-20-15-17-24(18-16-20)34(31,32)29(22-11-8-12-23(19-22)33-2)27-25-13-6-7-14-26(25)30-28(27)21-9-4-3-5-10-21/h3-19,29-30H,1-2H3
InChIKeyAIXLNUQADIOOGG-UHFFFAOYSA-N
XLogP6.72
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.59
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[benzenesulfonyl-(3-methoxyphenyl)methyl]-1H-indole
CID 134850362
3-[(4-chlorophenyl)-(4-methylphenyl)sulfonylmethyl]-2-methyl-1H-indole
CID 56954897
2-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonylethanamine
CID 16642237
[(3-methoxyphenyl)-(4-methylphenyl)sulfonylmethyl]-methylidyneazanium
CID 170922892
N-[2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethyl]-4-phenylbenzenesulfonamide
CID 24825401
3-[1-(3,4-dimethoxyphenyl)-2-nitroethyl]-2-(4-methylphenyl)-1H-indole
CID 3478948
2-(4-methoxyphenyl)-3-[(1S)-1-(4-methoxyphenyl)-2-nitroethyl]-1H-indole
CID 1144826
3-[(2-methoxyphenyl)-(4-methylphenyl)sulfonylmethyl]-1H-indole
CID 162689484
1-(5-methoxy-2-phenyl-1H-indol-3-yl)ethanamine
CID 82024001
N-[phenyl-(2-phenyl-1H-indol-3-yl)methyl]benzenesulfonamide
CID 118908821
3-[[2-(3-methoxyphenyl)phenyl]-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole
CID 57382188
3-methoxy-N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]benzamide
CID 3249034

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyphenyl)-(4-methylphenyl)sulfonylmethyl]-2-phenyl-1H-indole?
The IUPAC name of 3-[(3-methoxyphenyl)-(4-methylphenyl)sulfonylmethyl]-2-phenyl-1H-indole (CID 102307639) is 3-[(3-methoxyphenyl)-(4-methylphenyl)sulfonylmethyl]-2-phenyl-1H-indole.
What is the SMILES notation for 3-[(3-methoxyphenyl)-(4-methylphenyl)sulfonylmethyl]-2-phenyl-1H-indole?
The canonical SMILES for 3-[(3-methoxyphenyl)-(4-methylphenyl)sulfonylmethyl]-2-phenyl-1H-indole is COc1cccc(C(c2c(-c3ccccc3)[nH]c3ccccc23)S(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of 3-[(3-methoxyphenyl)-(4-methylphenyl)sulfonylmethyl]-2-phenyl-1H-indole?
The InChIKey is AIXLNUQADIOOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25NO3S/c1-20-15-17-24(18-16-20)34(31,32)29(22-11-8-12-23(19-22)33-2)27-25-13-6-7-14-26(25)30-28(27)21-9-4-3-5-10-21/h3-19,29-30H,1-2H3.
What are the key properties of 3-[(3-methoxyphenyl)-(4-methylphenyl)sulfonylmethyl]-2-phenyl-1H-indole?
3-[(3-methoxyphenyl)-(4-methylphenyl)sulfonylmethyl]-2-phenyl-1H-indole has a molecular weight of 467.59 g/mol, XLogP of 6.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyphenyl)-(4-methylphenyl)sulfonylmethyl]-2-phenyl-1H-indole is sourced from PubChem (CID 102307639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).