[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(3-phenylmethoxyphenyl)methanol

C29H25NO5S — CID 11081611

IUPAC[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(3-phenylmethoxyphenyl)methanol
SMILESCOc1ccc2c(c1)cc(C(O)c1cccc(OCc3ccccc3)c1)n2S(=O)(=O)c1ccccc1
InChIInChI=1S/C29H25NO5S/c1-34-24-15-16-27-23(18-24)19-28(30(27)36(32,33)26-13-6-3-7-14-26)29(31)22-11-8-12-25(17-22)35-20-21-9-4-2-5-10-21/h2-19,29,31H,20H2,1H3
InChIKeyZJRYVWCEJYDAMR-UHFFFAOYSA-N
MW499.59 g/mol
LogP5.55
Rot. Bonds8

About [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(3-phenylmethoxyphenyl)methanol

[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(3-phenylmethoxyphenyl)methanol (PubChem CID 11081611) has the molecular formula C29H25NO5S and a molecular weight of 499.59 g/mol. Its IUPAC name is [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(3-phenylmethoxyphenyl)methanol.

Molecular Properties

Compound Name[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(3-phenylmethoxyphenyl)methanol
PubChem CID11081611
Molecular FormulaC29H25NO5S
Molecular Weight499.59 g/mol
Exact Mass499.15
IUPAC Name[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(3-phenylmethoxyphenyl)methanol
SMILESCOc1ccc2c(c1)cc(C(O)c1cccc(OCc3ccccc3)c1)n2S(=O)(=O)c1ccccc1
InChIInChI=1S/C29H25NO5S/c1-34-24-15-16-27-23(18-24)19-28(30(27)36(32,33)26-13-6-3-7-14-26)29(31)22-11-8-12-25(17-22)35-20-21-9-4-2-5-10-21/h2-19,29,31H,20H2,1H3
InChIKeyZJRYVWCEJYDAMR-UHFFFAOYSA-N
XLogP5.55
TPSA77.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.59
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[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
[1-(benzenesulfonyl)-5-phenylmethoxyindol-2-yl]-(3-methoxyphenyl)methanone
CID 10929155
(3,5-dimethoxyphenyl)-(3-phenylmethoxyphenyl)methanol
CID 69204493
[1-(benzenesulfonyl)-5-fluoroindol-2-yl]-[1-(benzenesulfonyl)-5-phenylmethoxyindol-2-yl]methanone
CID 11513080
[3-[1-(benzenesulfonyl)indol-2-yl]phenyl]-(3,5-dimethoxyphenyl)methanol
CID 56646386
(3-phenylmethoxyphenyl) (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 102519033
1-[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-4,4-dimethoxycyclohexa-2,5-dien-1-ol
CID 11247697
(4-methoxyphenyl)-(7-methoxy-3-phenylmethoxynaphthalen-2-yl)methanol
CID 25132186
[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2,4-dimethoxyphenyl)methanone
CID 11730089
[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2,3-dimethoxyphenyl)methanone
CID 10863318
(2S)-2-(6-methoxynaphthalen-2-yl)-N-(3-phenylmethoxyphenyl)propanamide
CID 54789941

Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(3-phenylmethoxyphenyl)methanol?
The IUPAC name of [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(3-phenylmethoxyphenyl)methanol (CID 11081611) is [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(3-phenylmethoxyphenyl)methanol.
What is the SMILES notation for [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(3-phenylmethoxyphenyl)methanol?
The canonical SMILES for [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(3-phenylmethoxyphenyl)methanol is COc1ccc2c(c1)cc(C(O)c1cccc(OCc3ccccc3)c1)n2S(=O)(=O)c1ccccc1.
What is the InChIKey of [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(3-phenylmethoxyphenyl)methanol?
The InChIKey is ZJRYVWCEJYDAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25NO5S/c1-34-24-15-16-27-23(18-24)19-28(30(27)36(32,33)26-13-6-3-7-14-26)29(31)22-11-8-12-25(17-22)35-20-21-9-4-2-5-10-21/h2-19,29,31H,20H2,1H3.
What are the key properties of [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(3-phenylmethoxyphenyl)methanol?
[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(3-phenylmethoxyphenyl)methanol has a molecular weight of 499.59 g/mol, XLogP of 5.55, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(3-phenylmethoxyphenyl)methanol is sourced from PubChem (CID 11081611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).