2,4-bis(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylindole

C29H25NO4S — CID 102128726

IUPAC2,4-bis(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylindole
SMILESCOc1ccc(-c2cccc3c2cc(-c2ccc(OC)cc2)n3S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C29H25NO4S/c1-20-7-17-25(18-8-20)35(31,32)30-28-6-4-5-26(21-9-13-23(33-2)14-10-21)27(28)19-29(30)22-11-15-24(34-3)16-12-22/h4-19H,1-3H3
InChIKeyBTHJTIIAZHKXMY-UHFFFAOYSA-N
MW483.59 g/mol
LogP6.54
Rot. Bonds6

About 2,4-bis(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylindole

2,4-bis(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylindole (PubChem CID 102128726) has the molecular formula C29H25NO4S and a molecular weight of 483.59 g/mol. Its IUPAC name is 2,4-bis(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylindole.

Molecular Properties

Compound Name2,4-bis(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylindole
PubChem CID102128726
Molecular FormulaC29H25NO4S
Molecular Weight483.59 g/mol
Exact Mass483.15
IUPAC Name2,4-bis(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylindole
SMILESCOc1ccc(-c2cccc3c2cc(-c2ccc(OC)cc2)n3S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C29H25NO4S/c1-20-7-17-25(18-8-20)35(31,32)30-28-6-4-5-26(21-9-13-23(33-2)14-10-21)27(28)19-29(30)22-11-15-24(34-3)16-12-22/h4-19H,1-3H3
InChIKeyBTHJTIIAZHKXMY-UHFFFAOYSA-N
XLogP6.54
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.59
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxyphenyl)-5-(4-methylphenyl)naphthalene
CID 142669243
6-methyl-1-(4-methylphenyl)sulfonyl-2-phenylindole
CID 138983532
2-(4-methoxyphenyl)-4-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindole
CID 162398288
2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylindole
CID 139694978
9-[4-(3,6-dimethoxycarbazol-9-yl)sulfonylphenyl]-3,6-dimethoxycarbazole
CID 146530442
4-methoxy-2-(1-methoxyindol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 90868510
2-[(Z)-1-methoxy-2-(4-methoxyphenyl)ethenyl]-1-(4-methylphenyl)sulfonylindole
CID 25228635
3-(5-methoxy-1H-indol-3-yl)-1-(4-methylphenyl)sulfonylindole-2-carboxylic acid
CID 59364327
5-methoxy-2-methyl-1-(4-methylphenyl)sulfonyl-3-prop-2-enylindole
CID 71722470
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
5-methoxy-1-(4-methylphenyl)sulfonyl-2H-indazol-3-one
CID 110169571

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylindole?
The IUPAC name of 2,4-bis(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylindole (CID 102128726) is 2,4-bis(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylindole.
What is the SMILES notation for 2,4-bis(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylindole?
The canonical SMILES for 2,4-bis(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylindole is COc1ccc(-c2cccc3c2cc(-c2ccc(OC)cc2)n3S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 2,4-bis(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylindole?
The InChIKey is BTHJTIIAZHKXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25NO4S/c1-20-7-17-25(18-8-20)35(31,32)30-28-6-4-5-26(21-9-13-23(33-2)14-10-21)27(28)19-29(30)22-11-15-24(34-3)16-12-22/h4-19H,1-3H3.
What are the key properties of 2,4-bis(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylindole?
2,4-bis(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylindole has a molecular weight of 483.59 g/mol, XLogP of 6.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylindole is sourced from PubChem (CID 102128726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).