[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2,4-dimethoxyphenyl)methanone

C24H21NO6S — CID 11730089

IUPAC[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc3cc(OC)ccc3n2S(=O)(=O)c2ccccc2)c(OC)c1
InChIInChI=1S/C24H21NO6S/c1-29-17-10-12-21-16(13-17)14-22(25(21)32(27,28)19-7-5-4-6-8-19)24(26)20-11-9-18(30-2)15-23(20)31-3/h4-15H,1-3H3
InChIKeyXPLCYYQWICKBCH-UHFFFAOYSA-N
MW451.50 g/mol
LogP4.14
Rot. Bonds7

About [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2,4-dimethoxyphenyl)methanone

[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2,4-dimethoxyphenyl)methanone (PubChem CID 11730089) has the molecular formula C24H21NO6S and a molecular weight of 451.50 g/mol. Its IUPAC name is [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2,4-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2,4-dimethoxyphenyl)methanone
PubChem CID11730089
Molecular FormulaC24H21NO6S
Molecular Weight451.50 g/mol
Exact Mass451.11
IUPAC Name[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc3cc(OC)ccc3n2S(=O)(=O)c2ccccc2)c(OC)c1
InChIInChI=1S/C24H21NO6S/c1-29-17-10-12-21-16(13-17)14-22(25(21)32(27,28)19-7-5-4-6-8-19)24(26)20-11-9-18(30-2)15-23(20)31-3/h4-15H,1-3H3
InChIKeyXPLCYYQWICKBCH-UHFFFAOYSA-N
XLogP4.14
TPSA83.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2,3-dimethoxyphenyl)methanone
CID 10863318
[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2-chloro-6-fluorophenyl)methanone
CID 11134025
[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(1-benzofuran-5-yl)methanone
CID 121485521
[1-(benzenesulfonyl)-5-phenylmethoxyindol-2-yl]-(3-methoxyphenyl)methanone
CID 10929155
[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(4-methoxyphenyl)methanol
CID 10916853
[1-(benzenesulfonyl)-5-chloroindol-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 56646601
[1-(benzenesulfonyl)indol-2-yl]-[1-(benzenesulfonyl)-5-methoxyindol-2-yl]methanol
CID 10603182
1-[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-4,4-dimethoxycyclohexa-2,5-dien-1-ol
CID 11247697
[1-(benzenesulfonyl)-5-fluoroindol-2-yl]-[1-(benzenesulfonyl)-5-phenylmethoxyindol-2-yl]methanone
CID 11513080
[1-(benzenesulfonyl)indol-2-yl]-naphthalen-2-ylmethanone
CID 56955530
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326

Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2,4-dimethoxyphenyl)methanone?
The IUPAC name of [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2,4-dimethoxyphenyl)methanone (CID 11730089) is [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2,4-dimethoxyphenyl)methanone.
What is the SMILES notation for [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2,4-dimethoxyphenyl)methanone?
The canonical SMILES for [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2,4-dimethoxyphenyl)methanone is COc1ccc(C(=O)c2cc3cc(OC)ccc3n2S(=O)(=O)c2ccccc2)c(OC)c1.
What is the InChIKey of [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2,4-dimethoxyphenyl)methanone?
The InChIKey is XPLCYYQWICKBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO6S/c1-29-17-10-12-21-16(13-17)14-22(25(21)32(27,28)19-7-5-4-6-8-19)24(26)20-11-9-18(30-2)15-23(20)31-3/h4-15H,1-3H3.
What are the key properties of [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2,4-dimethoxyphenyl)methanone?
[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2,4-dimethoxyphenyl)methanone has a molecular weight of 451.50 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2,4-dimethoxyphenyl)methanone is sourced from PubChem (CID 11730089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).