[1-(benzenesulfonyl)indol-3-yl]-(4-hydroxy-3-methoxyphenyl)methanone

C22H17NO5S — CID 19085532

IUPAC[1-(benzenesulfonyl)indol-3-yl]-(4-hydroxy-3-methoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)ccc1O
InChIInChI=1S/C22H17NO5S/c1-28-21-13-15(11-12-20(21)24)22(25)18-14-23(19-10-6-5-9-17(18)19)29(26,27)16-7-3-2-4-8-16/h2-14,24H,1H3
InChIKeyOKHWXBJHTCVOBT-UHFFFAOYSA-N
MW407.45 g/mol
LogP3.82
Rot. Bonds5

About [1-(benzenesulfonyl)indol-3-yl]-(4-hydroxy-3-methoxyphenyl)methanone

[1-(benzenesulfonyl)indol-3-yl]-(4-hydroxy-3-methoxyphenyl)methanone (PubChem CID 19085532) has the molecular formula C22H17NO5S and a molecular weight of 407.45 g/mol. Its IUPAC name is [1-(benzenesulfonyl)indol-3-yl]-(4-hydroxy-3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[1-(benzenesulfonyl)indol-3-yl]-(4-hydroxy-3-methoxyphenyl)methanone
PubChem CID19085532
Molecular FormulaC22H17NO5S
Molecular Weight407.45 g/mol
Exact Mass407.08
IUPAC Name[1-(benzenesulfonyl)indol-3-yl]-(4-hydroxy-3-methoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)ccc1O
InChIInChI=1S/C22H17NO5S/c1-28-21-13-15(11-12-20(21)24)22(25)18-14-23(19-10-6-5-9-17(18)19)29(26,27)16-7-3-2-4-8-16/h2-14,24H,1H3
InChIKeyOKHWXBJHTCVOBT-UHFFFAOYSA-N
XLogP3.82
TPSA85.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)indol-3-yl]-(4-hydroxy-3-methoxyphenyl)methanone?
The IUPAC name of [1-(benzenesulfonyl)indol-3-yl]-(4-hydroxy-3-methoxyphenyl)methanone (CID 19085532) is [1-(benzenesulfonyl)indol-3-yl]-(4-hydroxy-3-methoxyphenyl)methanone.
What is the SMILES notation for [1-(benzenesulfonyl)indol-3-yl]-(4-hydroxy-3-methoxyphenyl)methanone?
The canonical SMILES for [1-(benzenesulfonyl)indol-3-yl]-(4-hydroxy-3-methoxyphenyl)methanone is COc1cc(C(=O)c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)ccc1O.
What is the InChIKey of [1-(benzenesulfonyl)indol-3-yl]-(4-hydroxy-3-methoxyphenyl)methanone?
The InChIKey is OKHWXBJHTCVOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO5S/c1-28-21-13-15(11-12-20(21)24)22(25)18-14-23(19-10-6-5-9-17(18)19)29(26,27)16-7-3-2-4-8-16/h2-14,24H,1H3.
What are the key properties of [1-(benzenesulfonyl)indol-3-yl]-(4-hydroxy-3-methoxyphenyl)methanone?
[1-(benzenesulfonyl)indol-3-yl]-(4-hydroxy-3-methoxyphenyl)methanone has a molecular weight of 407.45 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)indol-3-yl]-(4-hydroxy-3-methoxyphenyl)methanone is sourced from PubChem (CID 19085532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).