2-[3-(benzenesulfonyl)-1H-indol-5-yl]ethanol

C16H15NO3S — CID 58955092

IUPAC2-[3-(benzenesulfonyl)-1H-indol-5-yl]ethanol
SMILESO=S(=O)(c1ccccc1)c1c[nH]c2ccc(CCO)cc12
InChIInChI=1S/C16H15NO3S/c18-9-8-12-6-7-15-14(10-12)16(11-17-15)21(19,20)13-4-2-1-3-5-13/h1-7,10-11,17-18H,8-9H2
InChIKeyPHXHZYDXCOGJQB-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.54
Rot. Bonds4

About 2-[3-(benzenesulfonyl)-1H-indol-5-yl]ethanol

2-[3-(benzenesulfonyl)-1H-indol-5-yl]ethanol (PubChem CID 58955092) has the molecular formula C16H15NO3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-[3-(benzenesulfonyl)-1H-indol-5-yl]ethanol.

Molecular Properties

Compound Name2-[3-(benzenesulfonyl)-1H-indol-5-yl]ethanol
PubChem CID58955092
Molecular FormulaC16H15NO3S
Molecular Weight301.37 g/mol
Exact Mass301.08
IUPAC Name2-[3-(benzenesulfonyl)-1H-indol-5-yl]ethanol
SMILESO=S(=O)(c1ccccc1)c1c[nH]c2ccc(CCO)cc12
InChIInChI=1S/C16H15NO3S/c18-9-8-12-6-7-15-14(10-12)16(11-17-15)21(19,20)13-4-2-1-3-5-13/h1-7,10-11,17-18H,8-9H2
InChIKeyPHXHZYDXCOGJQB-UHFFFAOYSA-N
XLogP2.54
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(benzenesulfonyl)-1H-indol-5-yl]-N-methylethanamine
CID 24861016
2-[3-(benzenesulfonyl)-1H-indol-5-yl]ethanol;2-[3-(benzenesulfonyl)-1H-indol-5-yl]ethyl 4-methylbenzenesulfonate
CID 158133431
3-(benzenesulfonyl)-5-chloro-1H-indole
CID 54518523
2-[3-(benzenesulfonyl)-1H-indol-5-yl]-N-methylethanamine;methyl N-[2-[3-(benzenesulfonyl)-1H-indol-5-yl]ethyl]-N-methylcarbamate
CID 159214323
6-(2-azidoethyl)-3-(benzenesulfonyl)-1H-indole
CID 58955124
3-(benzenesulfonyl)-6-(2-piperidin-1-ylethyl)-1H-indole
CID 24860772
sodium;5-(2-azidoethyl)-3-(benzenesulfonyl)-1H-indole;2-[3-(benzenesulfonyl)-1H-indol-5-yl]ethyl 4-methylbenzenesulfonate;azide
CID 159712206
3-(benzenesulfonyl)-1H-quinolin-4-one
CID 6619653
3-(benzenesulfonyl)-5-piperazin-1-yl-1H-indole;hydrochloride
CID 69352721
methyl 2-[2-[3-(benzenesulfonyl)-1H-indol-6-yl]ethyl]-4-methylbenzenesulfonate
CID 87541969
2-[4-[[3-(benzenesulfonyl)-1H-indol-5-yl]oxy]-3,5-dichlorophenyl]sulfanylacetic acid
CID 22669905
2-[5-(benzenesulfonyl)-1H-indol-3-yl]ethanamine
CID 11358502

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonyl)-1H-indol-5-yl]ethanol?
The IUPAC name of 2-[3-(benzenesulfonyl)-1H-indol-5-yl]ethanol (CID 58955092) is 2-[3-(benzenesulfonyl)-1H-indol-5-yl]ethanol.
What is the SMILES notation for 2-[3-(benzenesulfonyl)-1H-indol-5-yl]ethanol?
The canonical SMILES for 2-[3-(benzenesulfonyl)-1H-indol-5-yl]ethanol is O=S(=O)(c1ccccc1)c1c[nH]c2ccc(CCO)cc12.
What is the InChIKey of 2-[3-(benzenesulfonyl)-1H-indol-5-yl]ethanol?
The InChIKey is PHXHZYDXCOGJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S/c18-9-8-12-6-7-15-14(10-12)16(11-17-15)21(19,20)13-4-2-1-3-5-13/h1-7,10-11,17-18H,8-9H2.
What are the key properties of 2-[3-(benzenesulfonyl)-1H-indol-5-yl]ethanol?
2-[3-(benzenesulfonyl)-1H-indol-5-yl]ethanol has a molecular weight of 301.37 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzenesulfonyl)-1H-indol-5-yl]ethanol is sourced from PubChem (CID 58955092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).