[1-(benzenesulfonyl)-5-phenylmethoxyindol-2-yl]-(3-methoxyphenyl)methanone

C29H23NO5S — CID 10929155

IUPAC[1-(benzenesulfonyl)-5-phenylmethoxyindol-2-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2cc3cc(OCc4ccccc4)ccc3n2S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C29H23NO5S/c1-34-24-12-8-11-22(17-24)29(31)28-19-23-18-25(35-20-21-9-4-2-5-10-21)15-16-27(23)30(28)36(32,33)26-13-6-3-7-14-26/h2-19H,20H2,1H3
InChIKeyYDXKKRDDRQVTBB-UHFFFAOYSA-N
MW497.57 g/mol
LogP5.70
Rot. Bonds8

About [1-(benzenesulfonyl)-5-phenylmethoxyindol-2-yl]-(3-methoxyphenyl)methanone

[1-(benzenesulfonyl)-5-phenylmethoxyindol-2-yl]-(3-methoxyphenyl)methanone (PubChem CID 10929155) has the molecular formula C29H23NO5S and a molecular weight of 497.57 g/mol. Its IUPAC name is [1-(benzenesulfonyl)-5-phenylmethoxyindol-2-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[1-(benzenesulfonyl)-5-phenylmethoxyindol-2-yl]-(3-methoxyphenyl)methanone
PubChem CID10929155
Molecular FormulaC29H23NO5S
Molecular Weight497.57 g/mol
Exact Mass497.13
IUPAC Name[1-(benzenesulfonyl)-5-phenylmethoxyindol-2-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2cc3cc(OCc4ccccc4)ccc3n2S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C29H23NO5S/c1-34-24-12-8-11-22(17-24)29(31)28-19-23-18-25(35-20-21-9-4-2-5-10-21)15-16-27(23)30(28)36(32,33)26-13-6-3-7-14-26/h2-19H,20H2,1H3
InChIKeyYDXKKRDDRQVTBB-UHFFFAOYSA-N
XLogP5.70
TPSA74.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.57
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(benzenesulfonyl)-5-fluoroindol-2-yl]-[1-(benzenesulfonyl)-5-phenylmethoxyindol-2-yl]methanone
CID 11513080
[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(3-phenylmethoxyphenyl)methanol
CID 11081611
[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(1-benzofuran-5-yl)methanone
CID 121485521
[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2,4-dimethoxyphenyl)methanone
CID 11730089
[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-chloroindol-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 56646601
[1-(benzenesulfonyl)indol-2-yl]-naphthalen-2-ylmethanone
CID 56955530
[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(4-methoxyphenyl)methanol
CID 10916853
[1-(benzenesulfonyl)indol-2-yl]-[1-(benzenesulfonyl)-5-methoxyindol-2-yl]methanol
CID 10603182
4-[3-[(4-methoxyphenyl)methoxy]phenyl]-4-oxobut-2-enoic acid
CID 54212138
3-methoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 135564193

Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)-5-phenylmethoxyindol-2-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [1-(benzenesulfonyl)-5-phenylmethoxyindol-2-yl]-(3-methoxyphenyl)methanone (CID 10929155) is [1-(benzenesulfonyl)-5-phenylmethoxyindol-2-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [1-(benzenesulfonyl)-5-phenylmethoxyindol-2-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [1-(benzenesulfonyl)-5-phenylmethoxyindol-2-yl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)c2cc3cc(OCc4ccccc4)ccc3n2S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of [1-(benzenesulfonyl)-5-phenylmethoxyindol-2-yl]-(3-methoxyphenyl)methanone?
The InChIKey is YDXKKRDDRQVTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23NO5S/c1-34-24-12-8-11-22(17-24)29(31)28-19-23-18-25(35-20-21-9-4-2-5-10-21)15-16-27(23)30(28)36(32,33)26-13-6-3-7-14-26/h2-19H,20H2,1H3.
What are the key properties of [1-(benzenesulfonyl)-5-phenylmethoxyindol-2-yl]-(3-methoxyphenyl)methanone?
[1-(benzenesulfonyl)-5-phenylmethoxyindol-2-yl]-(3-methoxyphenyl)methanone has a molecular weight of 497.57 g/mol, XLogP of 5.70, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)-5-phenylmethoxyindol-2-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 10929155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).