[1-(benzenesulfonyl)-5-hydroxyindol-2-yl]-(4-phenoxyphenyl)methanone

C27H19NO5S — CID 53323697

IUPAC[1-(benzenesulfonyl)-5-hydroxyindol-2-yl]-(4-phenoxyphenyl)methanone
SMILESO=C(c1ccc(Oc2ccccc2)cc1)c1cc2cc(O)ccc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C27H19NO5S/c29-21-13-16-25-20(17-21)18-26(28(25)34(31,32)24-9-5-2-6-10-24)27(30)19-11-14-23(15-12-19)33-22-7-3-1-4-8-22/h1-18,29H
InChIKeyMGDPUDXMIRANQQ-UHFFFAOYSA-N
MW469.52 g/mol
LogP5.61
Rot. Bonds6

About [1-(benzenesulfonyl)-5-hydroxyindol-2-yl]-(4-phenoxyphenyl)methanone

[1-(benzenesulfonyl)-5-hydroxyindol-2-yl]-(4-phenoxyphenyl)methanone (PubChem CID 53323697) has the molecular formula C27H19NO5S and a molecular weight of 469.52 g/mol. Its IUPAC name is [1-(benzenesulfonyl)-5-hydroxyindol-2-yl]-(4-phenoxyphenyl)methanone.

Molecular Properties

Compound Name[1-(benzenesulfonyl)-5-hydroxyindol-2-yl]-(4-phenoxyphenyl)methanone
PubChem CID53323697
Molecular FormulaC27H19NO5S
Molecular Weight469.52 g/mol
Exact Mass469.10
IUPAC Name[1-(benzenesulfonyl)-5-hydroxyindol-2-yl]-(4-phenoxyphenyl)methanone
SMILESO=C(c1ccc(Oc2ccccc2)cc1)c1cc2cc(O)ccc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C27H19NO5S/c29-21-13-16-25-20(17-21)18-26(28(25)34(31,32)24-9-5-2-6-10-24)27(30)19-11-14-23(15-12-19)33-22-7-3-1-4-8-22/h1-18,29H
InChIKeyMGDPUDXMIRANQQ-UHFFFAOYSA-N
XLogP5.61
TPSA85.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.52
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)-5-hydroxyindol-2-yl]-(4-phenoxyphenyl)methanone?
The IUPAC name of [1-(benzenesulfonyl)-5-hydroxyindol-2-yl]-(4-phenoxyphenyl)methanone (CID 53323697) is [1-(benzenesulfonyl)-5-hydroxyindol-2-yl]-(4-phenoxyphenyl)methanone.
What is the SMILES notation for [1-(benzenesulfonyl)-5-hydroxyindol-2-yl]-(4-phenoxyphenyl)methanone?
The canonical SMILES for [1-(benzenesulfonyl)-5-hydroxyindol-2-yl]-(4-phenoxyphenyl)methanone is O=C(c1ccc(Oc2ccccc2)cc1)c1cc2cc(O)ccc2n1S(=O)(=O)c1ccccc1.
What is the InChIKey of [1-(benzenesulfonyl)-5-hydroxyindol-2-yl]-(4-phenoxyphenyl)methanone?
The InChIKey is MGDPUDXMIRANQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19NO5S/c29-21-13-16-25-20(17-21)18-26(28(25)34(31,32)24-9-5-2-6-10-24)27(30)19-11-14-23(15-12-19)33-22-7-3-1-4-8-22/h1-18,29H.
What are the key properties of [1-(benzenesulfonyl)-5-hydroxyindol-2-yl]-(4-phenoxyphenyl)methanone?
[1-(benzenesulfonyl)-5-hydroxyindol-2-yl]-(4-phenoxyphenyl)methanone has a molecular weight of 469.52 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)-5-hydroxyindol-2-yl]-(4-phenoxyphenyl)methanone is sourced from PubChem (CID 53323697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).