2-(1H-indol-3-yl)ethanesulfonamide

C10H12N2O2S — CID 69471081

IUPAC2-(1H-indol-3-yl)ethanesulfonamide
SMILESNS(=O)(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C10H12N2O2S/c11-15(13,14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H2,11,13,14)
InChIKeyYJAOFXPADSJKHQ-UHFFFAOYSA-N
MW224.29 g/mol
LogP1.00
Rot. Bonds3

About 2-(1H-indol-3-yl)ethanesulfonamide

2-(1H-indol-3-yl)ethanesulfonamide (PubChem CID 69471081) has the molecular formula C10H12N2O2S and a molecular weight of 224.29 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)ethanesulfonamide
PubChem CID69471081
Molecular FormulaC10H12N2O2S
Molecular Weight224.29 g/mol
Exact Mass224.06
IUPAC Name2-(1H-indol-3-yl)ethanesulfonamide
SMILESNS(=O)(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C10H12N2O2S/c11-15(13,14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H2,11,13,14)
InChIKeyYJAOFXPADSJKHQ-UHFFFAOYSA-N
XLogP1.00
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)ethanesulfonamide?
The IUPAC name of 2-(1H-indol-3-yl)ethanesulfonamide (CID 69471081) is 2-(1H-indol-3-yl)ethanesulfonamide.
What is the SMILES notation for 2-(1H-indol-3-yl)ethanesulfonamide?
The canonical SMILES for 2-(1H-indol-3-yl)ethanesulfonamide is NS(=O)(=O)CCc1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)ethanesulfonamide?
The InChIKey is YJAOFXPADSJKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c11-15(13,14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H2,11,13,14).
What are the key properties of 2-(1H-indol-3-yl)ethanesulfonamide?
2-(1H-indol-3-yl)ethanesulfonamide has a molecular weight of 224.29 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)ethanesulfonamide is sourced from PubChem (CID 69471081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).