N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]ethanesulfonamide

C13H16F2N2O2S — CID 39892018

IUPACN-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCc1c(C)[nH]c2c(F)cc(F)cc12
InChIInChI=1S/C13H16F2N2O2S/c1-3-20(18,19)16-5-4-10-8(2)17-13-11(10)6-9(14)7-12(13)15/h6-7,16-17H,3-5H2,1-2H3
InChIKeyASODCMLSUYLIFZ-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.24
Rot. Bonds5

About N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]ethanesulfonamide

N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]ethanesulfonamide (PubChem CID 39892018) has the molecular formula C13H16F2N2O2S and a molecular weight of 302.35 g/mol. Its IUPAC name is N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]ethanesulfonamide
PubChem CID39892018
Molecular FormulaC13H16F2N2O2S
Molecular Weight302.35 g/mol
Exact Mass302.09
IUPAC NameN-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCc1c(C)[nH]c2c(F)cc(F)cc12
InChIInChI=1S/C13H16F2N2O2S/c1-3-20(18,19)16-5-4-10-8(2)17-13-11(10)6-9(14)7-12(13)15/h6-7,16-17H,3-5H2,1-2H3
InChIKeyASODCMLSUYLIFZ-UHFFFAOYSA-N
XLogP2.24
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]ethanesulfonamide?
The IUPAC name of N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]ethanesulfonamide (CID 39892018) is N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]ethanesulfonamide is CCS(=O)(=O)NCCc1c(C)[nH]c2c(F)cc(F)cc12.
What is the InChIKey of N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]ethanesulfonamide?
The InChIKey is ASODCMLSUYLIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2S/c1-3-20(18,19)16-5-4-10-8(2)17-13-11(10)6-9(14)7-12(13)15/h6-7,16-17H,3-5H2,1-2H3.
What are the key properties of N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]ethanesulfonamide?
N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]ethanesulfonamide has a molecular weight of 302.35 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]ethanesulfonamide is sourced from PubChem (CID 39892018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).