N-[2-(1H-indol-2-yl)phenyl]ethanesulfonamide

C16H16N2O2S — CID 3687205

IUPACN-[2-(1H-indol-2-yl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccccc1-c1cc2ccccc2[nH]1
InChIInChI=1S/C16H16N2O2S/c1-2-21(19,20)18-15-10-6-4-8-13(15)16-11-12-7-3-5-9-14(12)17-16/h3-11,17-18H,2H2,1H3
InChIKeyJXLCJADMIKSJOI-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.60
Rot. Bonds4

About N-[2-(1H-indol-2-yl)phenyl]ethanesulfonamide

N-[2-(1H-indol-2-yl)phenyl]ethanesulfonamide (PubChem CID 3687205) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[2-(1H-indol-2-yl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(1H-indol-2-yl)phenyl]ethanesulfonamide
PubChem CID3687205
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-[2-(1H-indol-2-yl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccccc1-c1cc2ccccc2[nH]1
InChIInChI=1S/C16H16N2O2S/c1-2-21(19,20)18-15-10-6-4-8-13(15)16-11-12-7-3-5-9-14(12)17-16/h3-11,17-18H,2H2,1H3
InChIKeyJXLCJADMIKSJOI-UHFFFAOYSA-N
XLogP3.60
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-2-yl)phenyl]ethanesulfonamide?
The IUPAC name of N-[2-(1H-indol-2-yl)phenyl]ethanesulfonamide (CID 3687205) is N-[2-(1H-indol-2-yl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[2-(1H-indol-2-yl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[2-(1H-indol-2-yl)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccccc1-c1cc2ccccc2[nH]1.
What is the InChIKey of N-[2-(1H-indol-2-yl)phenyl]ethanesulfonamide?
The InChIKey is JXLCJADMIKSJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-2-21(19,20)18-15-10-6-4-8-13(15)16-11-12-7-3-5-9-14(12)17-16/h3-11,17-18H,2H2,1H3.
What are the key properties of N-[2-(1H-indol-2-yl)phenyl]ethanesulfonamide?
N-[2-(1H-indol-2-yl)phenyl]ethanesulfonamide has a molecular weight of 300.38 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-2-yl)phenyl]ethanesulfonamide is sourced from PubChem (CID 3687205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).