5-(ethylsulfonylmethyl)-1H-indole

C11H13NO2S — CID 67811404

IUPAC5-(ethylsulfonylmethyl)-1H-indole
SMILESCCS(=O)(=O)Cc1ccc2[nH]ccc2c1
InChIInChI=1S/C11H13NO2S/c1-2-15(13,14)8-9-3-4-11-10(7-9)5-6-12-11/h3-7,12H,2,8H2,1H3
InChIKeyOAKWYIRNHKTVCR-UHFFFAOYSA-N
MW223.30 g/mol
LogP2.10
Rot. Bonds3

About 5-(ethylsulfonylmethyl)-1H-indole

5-(ethylsulfonylmethyl)-1H-indole (PubChem CID 67811404) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is 5-(ethylsulfonylmethyl)-1H-indole.

Molecular Properties

Compound Name5-(ethylsulfonylmethyl)-1H-indole
PubChem CID67811404
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name5-(ethylsulfonylmethyl)-1H-indole
SMILESCCS(=O)(=O)Cc1ccc2[nH]ccc2c1
InChIInChI=1S/C11H13NO2S/c1-2-15(13,14)8-9-3-4-11-10(7-9)5-6-12-11/h3-7,12H,2,8H2,1H3
InChIKeyOAKWYIRNHKTVCR-UHFFFAOYSA-N
XLogP2.10
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1H-indol-5-ylmethanesulfonamide;sulfuric acid
CID 67052547
2-(1H-indol-5-yl)-N-methylethanamine
CID 82374641
1-(1H-indol-5-yl)-2-methylpropan-2-ol
CID 117119070
methyl 2-(1H-indol-5-yl)acetate
CID 43831379
(2R)-N-ethyl-N-(1H-indol-5-ylmethyl)-2-methylbutane-1-sulfonamide
CID 124864084
ethyl 3-(1H-indol-5-yl)propanoate
CID 73357468
ethyl N-(1H-indol-5-ylmethyl)carbamate
CID 59248610
1-(1H-indol-5-yl)-4-methylpentan-3-one
CID 22572822
5-pent-3-enyl-1H-indole
CID 54525376
5-(4-methylpentyl)-1H-indole
CID 143660626
5-[(4-chlorophenyl)methyl]-1H-indole
CID 22417702
phenyl 2-(1H-indol-5-yl)ethanesulfonate
CID 87692808

Frequently Asked Questions

What is the IUPAC name of 5-(ethylsulfonylmethyl)-1H-indole?
The IUPAC name of 5-(ethylsulfonylmethyl)-1H-indole (CID 67811404) is 5-(ethylsulfonylmethyl)-1H-indole.
What is the SMILES notation for 5-(ethylsulfonylmethyl)-1H-indole?
The canonical SMILES for 5-(ethylsulfonylmethyl)-1H-indole is CCS(=O)(=O)Cc1ccc2[nH]ccc2c1.
What is the InChIKey of 5-(ethylsulfonylmethyl)-1H-indole?
The InChIKey is OAKWYIRNHKTVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c1-2-15(13,14)8-9-3-4-11-10(7-9)5-6-12-11/h3-7,12H,2,8H2,1H3.
What are the key properties of 5-(ethylsulfonylmethyl)-1H-indole?
5-(ethylsulfonylmethyl)-1H-indole has a molecular weight of 223.30 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylsulfonylmethyl)-1H-indole is sourced from PubChem (CID 67811404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).