N-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]methanesulfonamide

C13H17FN2O2S — CID 71661346

IUPACN-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]methanesulfonamide
SMILESCCN(CCc1c[nH]c2ccc(F)cc12)S(C)(=O)=O
InChIInChI=1S/C13H17FN2O2S/c1-3-16(19(2,17)18)7-6-10-9-15-13-5-4-11(14)8-12(10)13/h4-5,8-9,15H,3,6-7H2,1-2H3
InChIKeyBOLJQGHNCUZNHI-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.13
Rot. Bonds5

About N-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]methanesulfonamide

N-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]methanesulfonamide (PubChem CID 71661346) has the molecular formula C13H17FN2O2S and a molecular weight of 284.36 g/mol. Its IUPAC name is N-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]methanesulfonamide
PubChem CID71661346
Molecular FormulaC13H17FN2O2S
Molecular Weight284.36 g/mol
Exact Mass284.10
IUPAC NameN-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]methanesulfonamide
SMILESCCN(CCc1c[nH]c2ccc(F)cc12)S(C)(=O)=O
InChIInChI=1S/C13H17FN2O2S/c1-3-16(19(2,17)18)7-6-10-9-15-13-5-4-11(14)8-12(10)13/h4-5,8-9,15H,3,6-7H2,1-2H3
InChIKeyBOLJQGHNCUZNHI-UHFFFAOYSA-N
XLogP2.13
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]methanesulfonamide?
The IUPAC name of N-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]methanesulfonamide (CID 71661346) is N-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]methanesulfonamide is CCN(CCc1c[nH]c2ccc(F)cc12)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]methanesulfonamide?
The InChIKey is BOLJQGHNCUZNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2S/c1-3-16(19(2,17)18)7-6-10-9-15-13-5-4-11(14)8-12(10)13/h4-5,8-9,15H,3,6-7H2,1-2H3.
What are the key properties of N-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]methanesulfonamide?
N-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]methanesulfonamide has a molecular weight of 284.36 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 71661346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).