[1-(benzenesulfonyl)-6-methoxyindol-2-yl]-(3,4,5-trimethoxyphenyl)methanone

C25H23NO7S — CID 56646600

IUPAC[1-(benzenesulfonyl)-6-methoxyindol-2-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc2cc(C(=O)c3cc(OC)c(OC)c(OC)c3)n(S(=O)(=O)c3ccccc3)c2c1
InChIInChI=1S/C25H23NO7S/c1-30-18-11-10-16-12-21(24(27)17-13-22(31-2)25(33-4)23(14-17)32-3)26(20(16)15-18)34(28,29)19-8-6-5-7-9-19/h5-15H,1-4H3
InChIKeyJREYZQRSHQZNHN-UHFFFAOYSA-N
MW481.53 g/mol
LogP4.14
Rot. Bonds8

About [1-(benzenesulfonyl)-6-methoxyindol-2-yl]-(3,4,5-trimethoxyphenyl)methanone

[1-(benzenesulfonyl)-6-methoxyindol-2-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 56646600) has the molecular formula C25H23NO7S and a molecular weight of 481.53 g/mol. Its IUPAC name is [1-(benzenesulfonyl)-6-methoxyindol-2-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[1-(benzenesulfonyl)-6-methoxyindol-2-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID56646600
Molecular FormulaC25H23NO7S
Molecular Weight481.53 g/mol
Exact Mass481.12
IUPAC Name[1-(benzenesulfonyl)-6-methoxyindol-2-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc2cc(C(=O)c3cc(OC)c(OC)c(OC)c3)n(S(=O)(=O)c3ccccc3)c2c1
InChIInChI=1S/C25H23NO7S/c1-30-18-11-10-16-12-21(24(27)17-13-22(31-2)25(33-4)23(14-17)32-3)26(20(16)15-18)34(28,29)19-8-6-5-7-9-19/h5-15H,1-4H3
InChIKeyJREYZQRSHQZNHN-UHFFFAOYSA-N
XLogP4.14
TPSA93.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.53
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)-6-methoxyindol-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [1-(benzenesulfonyl)-6-methoxyindol-2-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 56646600) is [1-(benzenesulfonyl)-6-methoxyindol-2-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [1-(benzenesulfonyl)-6-methoxyindol-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [1-(benzenesulfonyl)-6-methoxyindol-2-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1ccc2cc(C(=O)c3cc(OC)c(OC)c(OC)c3)n(S(=O)(=O)c3ccccc3)c2c1.
What is the InChIKey of [1-(benzenesulfonyl)-6-methoxyindol-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is JREYZQRSHQZNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO7S/c1-30-18-11-10-16-12-21(24(27)17-13-22(31-2)25(33-4)23(14-17)32-3)26(20(16)15-18)34(28,29)19-8-6-5-7-9-19/h5-15H,1-4H3.
What are the key properties of [1-(benzenesulfonyl)-6-methoxyindol-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
[1-(benzenesulfonyl)-6-methoxyindol-2-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 481.53 g/mol, XLogP of 4.14, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)-6-methoxyindol-2-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 56646600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).