2-(benzenesulfonyl)-1H-indol-4-ol

C14H11NO3S — CID 67737796

IUPAC2-(benzenesulfonyl)-1H-indol-4-ol
SMILESO=S(=O)(c1ccccc1)c1cc2c(O)cccc2[nH]1
InChIInChI=1S/C14H11NO3S/c16-13-8-4-7-12-11(13)9-14(15-12)19(17,18)10-5-2-1-3-6-10/h1-9,15-16H
InChIKeyILUGPGJUAIMAEY-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.71
Rot. Bonds2

About 2-(benzenesulfonyl)-1H-indol-4-ol

2-(benzenesulfonyl)-1H-indol-4-ol (PubChem CID 67737796) has the molecular formula C14H11NO3S and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-1H-indol-4-ol.

Molecular Properties

Compound Name2-(benzenesulfonyl)-1H-indol-4-ol
PubChem CID67737796
Molecular FormulaC14H11NO3S
Molecular Weight273.31 g/mol
Exact Mass273.05
IUPAC Name2-(benzenesulfonyl)-1H-indol-4-ol
SMILESO=S(=O)(c1ccccc1)c1cc2c(O)cccc2[nH]1
InChIInChI=1S/C14H11NO3S/c16-13-8-4-7-12-11(13)9-14(15-12)19(17,18)10-5-2-1-3-6-10/h1-9,15-16H
InChIKeyILUGPGJUAIMAEY-UHFFFAOYSA-N
XLogP2.71
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-1H-indol-4-ol?
The IUPAC name of 2-(benzenesulfonyl)-1H-indol-4-ol (CID 67737796) is 2-(benzenesulfonyl)-1H-indol-4-ol.
What is the SMILES notation for 2-(benzenesulfonyl)-1H-indol-4-ol?
The canonical SMILES for 2-(benzenesulfonyl)-1H-indol-4-ol is O=S(=O)(c1ccccc1)c1cc2c(O)cccc2[nH]1.
What is the InChIKey of 2-(benzenesulfonyl)-1H-indol-4-ol?
The InChIKey is ILUGPGJUAIMAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3S/c16-13-8-4-7-12-11(13)9-14(15-12)19(17,18)10-5-2-1-3-6-10/h1-9,15-16H.
What are the key properties of 2-(benzenesulfonyl)-1H-indol-4-ol?
2-(benzenesulfonyl)-1H-indol-4-ol has a molecular weight of 273.31 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-1H-indol-4-ol is sourced from PubChem (CID 67737796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).