2-[1-(benzenesulfonyl)indol-3-yl]ethanol

C16H15NO3S — CID 11449471

IUPAC2-[1-(benzenesulfonyl)indol-3-yl]ethanol
SMILESO=S(=O)(c1ccccc1)n1cc(CCO)c2ccccc21
InChIInChI=1S/C16H15NO3S/c18-11-10-13-12-17(16-9-5-4-8-15(13)16)21(19,20)14-6-2-1-3-7-14/h1-9,12,18H,10-11H2
InChIKeyKKPIPDDXWOHHCK-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.41
Rot. Bonds4

About 2-[1-(benzenesulfonyl)indol-3-yl]ethanol

2-[1-(benzenesulfonyl)indol-3-yl]ethanol (PubChem CID 11449471) has the molecular formula C16H15NO3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-[1-(benzenesulfonyl)indol-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(benzenesulfonyl)indol-3-yl]ethanol
PubChem CID11449471
Molecular FormulaC16H15NO3S
Molecular Weight301.37 g/mol
Exact Mass301.08
IUPAC Name2-[1-(benzenesulfonyl)indol-3-yl]ethanol
SMILESO=S(=O)(c1ccccc1)n1cc(CCO)c2ccccc21
InChIInChI=1S/C16H15NO3S/c18-11-10-13-12-17(16-9-5-4-8-15(13)16)21(19,20)14-6-2-1-3-7-14/h1-9,12,18H,10-11H2
InChIKeyKKPIPDDXWOHHCK-UHFFFAOYSA-N
XLogP2.41
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzenesulfonyl)indol-3-yl]ethanol?
The IUPAC name of 2-[1-(benzenesulfonyl)indol-3-yl]ethanol (CID 11449471) is 2-[1-(benzenesulfonyl)indol-3-yl]ethanol.
What is the SMILES notation for 2-[1-(benzenesulfonyl)indol-3-yl]ethanol?
The canonical SMILES for 2-[1-(benzenesulfonyl)indol-3-yl]ethanol is O=S(=O)(c1ccccc1)n1cc(CCO)c2ccccc21.
What is the InChIKey of 2-[1-(benzenesulfonyl)indol-3-yl]ethanol?
The InChIKey is KKPIPDDXWOHHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S/c18-11-10-13-12-17(16-9-5-4-8-15(13)16)21(19,20)14-6-2-1-3-7-14/h1-9,12,18H,10-11H2.
What are the key properties of 2-[1-(benzenesulfonyl)indol-3-yl]ethanol?
2-[1-(benzenesulfonyl)indol-3-yl]ethanol has a molecular weight of 301.37 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzenesulfonyl)indol-3-yl]ethanol is sourced from PubChem (CID 11449471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).