3-[bis(4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylindole

C30H27NO4S — CID 132561494

IUPAC3-[bis(4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylindole
SMILESCOc1ccc(C(c2ccc(OC)cc2)c2cn(S(=O)(=O)c3ccc(C)cc3)c3ccccc23)cc1
InChIInChI=1S/C30H27NO4S/c1-21-8-18-26(19-9-21)36(32,33)31-20-28(27-6-4-5-7-29(27)31)30(22-10-14-24(34-2)15-11-22)23-12-16-25(35-3)17-13-23/h4-20,30H,1-3H3
InChIKeyUYTHEGARQYWZOV-UHFFFAOYSA-N
MW497.62 g/mol
LogP6.38
Rot. Bonds7

About 3-[bis(4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylindole

3-[bis(4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylindole (PubChem CID 132561494) has the molecular formula C30H27NO4S and a molecular weight of 497.62 g/mol. Its IUPAC name is 3-[bis(4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylindole.

Molecular Properties

Compound Name3-[bis(4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylindole
PubChem CID132561494
Molecular FormulaC30H27NO4S
Molecular Weight497.62 g/mol
Exact Mass497.17
IUPAC Name3-[bis(4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylindole
SMILESCOc1ccc(C(c2ccc(OC)cc2)c2cn(S(=O)(=O)c3ccc(C)cc3)c3ccccc23)cc1
InChIInChI=1S/C30H27NO4S/c1-21-8-18-26(19-9-21)36(32,33)31-20-28(27-6-4-5-7-29(27)31)30(22-10-14-24(34-2)15-11-22)23-12-16-25(35-3)17-13-23/h4-20,30H,1-3H3
InChIKeyUYTHEGARQYWZOV-UHFFFAOYSA-N
XLogP6.38
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.62
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxyphenyl)sulfonyl-3-methylindole
CID 66853930
2-[(4-methoxyphenyl)-phenylmethyl]-1-(4-methylphenyl)sulfonylpyrrole
CID 102155159
methyl 2-amino-2-[1-(4-methylphenyl)sulfonylindol-3-yl]acetate
CID 134818170
1-(4-methoxyphenyl)sulfonyl-3-[1-(4-methylpiperazin-1-yl)ethyl]indole
CID 69185093
methyl (2R,3S)-2,3-dihydroxy-3-[1-(4-methylphenyl)sulfonylindol-3-yl]propanoate
CID 11153480
methyl 2-[1-(4-methoxyphenyl)sulfonylindol-3-yl]acetate
CID 598937
1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)indole
CID 101221610
3-iodo-5-methoxy-1-(4-methylphenyl)sulfonylindole
CID 11339335
5-methoxy-1-(4-methylphenyl)sulfonylindole-3-carbaldehyde
CID 14403889
N-[(2S)-2-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]propyl]acetamide
CID 125463928
1-(4-methylphenyl)sulfonyl-3-[1-(4-methylpiperazin-1-yl)ethyl]indole
CID 69186511
1-(4-methylphenyl)sulfonyl-3-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]indole
CID 66852552

Frequently Asked Questions

What is the IUPAC name of 3-[bis(4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylindole?
The IUPAC name of 3-[bis(4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylindole (CID 132561494) is 3-[bis(4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylindole.
What is the SMILES notation for 3-[bis(4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylindole?
The canonical SMILES for 3-[bis(4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylindole is COc1ccc(C(c2ccc(OC)cc2)c2cn(S(=O)(=O)c3ccc(C)cc3)c3ccccc23)cc1.
What is the InChIKey of 3-[bis(4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylindole?
The InChIKey is UYTHEGARQYWZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27NO4S/c1-21-8-18-26(19-9-21)36(32,33)31-20-28(27-6-4-5-7-29(27)31)30(22-10-14-24(34-2)15-11-22)23-12-16-25(35-3)17-13-23/h4-20,30H,1-3H3.
What are the key properties of 3-[bis(4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylindole?
3-[bis(4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylindole has a molecular weight of 497.62 g/mol, XLogP of 6.38, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylindole is sourced from PubChem (CID 132561494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).