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

C14H19FN2O2S — CID 71661347

IUPACN-ethyl-N-[3-(5-fluoro-1H-indol-3-yl)propyl]methanesulfonamide
SMILESCCN(CCCc1c[nH]c2ccc(F)cc12)S(C)(=O)=O
InChIInChI=1S/C14H19FN2O2S/c1-3-17(20(2,18)19)8-4-5-11-10-16-14-7-6-12(15)9-13(11)14/h6-7,9-10,16H,3-5,8H2,1-2H3
InChIKeyVHEPMJPGDONDIR-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.52
Rot. Bonds6

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

N-ethyl-N-[3-(5-fluoro-1H-indol-3-yl)propyl]methanesulfonamide (PubChem CID 71661347) has the molecular formula C14H19FN2O2S and a molecular weight of 298.38 g/mol. Its IUPAC name is N-ethyl-N-[3-(5-fluoro-1H-indol-3-yl)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[3-(5-fluoro-1H-indol-3-yl)propyl]methanesulfonamide
PubChem CID71661347
Molecular FormulaC14H19FN2O2S
Molecular Weight298.38 g/mol
Exact Mass298.12
IUPAC NameN-ethyl-N-[3-(5-fluoro-1H-indol-3-yl)propyl]methanesulfonamide
SMILESCCN(CCCc1c[nH]c2ccc(F)cc12)S(C)(=O)=O
InChIInChI=1S/C14H19FN2O2S/c1-3-17(20(2,18)19)8-4-5-11-10-16-14-7-6-12(15)9-13(11)14/h6-7,9-10,16H,3-5,8H2,1-2H3
InChIKeyVHEPMJPGDONDIR-UHFFFAOYSA-N
XLogP2.52
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-N-[3-(5-fluoro-1H-indol-3-yl)propyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[3-(5-fluoro-1H-indol-3-yl)propyl]methanesulfonamide?
The IUPAC name of N-ethyl-N-[3-(5-fluoro-1H-indol-3-yl)propyl]methanesulfonamide (CID 71661347) is N-ethyl-N-[3-(5-fluoro-1H-indol-3-yl)propyl]methanesulfonamide.
What is the SMILES notation for N-ethyl-N-[3-(5-fluoro-1H-indol-3-yl)propyl]methanesulfonamide?
The canonical SMILES for N-ethyl-N-[3-(5-fluoro-1H-indol-3-yl)propyl]methanesulfonamide is CCN(CCCc1c[nH]c2ccc(F)cc12)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-[3-(5-fluoro-1H-indol-3-yl)propyl]methanesulfonamide?
The InChIKey is VHEPMJPGDONDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2S/c1-3-17(20(2,18)19)8-4-5-11-10-16-14-7-6-12(15)9-13(11)14/h6-7,9-10,16H,3-5,8H2,1-2H3.
What are the key properties of N-ethyl-N-[3-(5-fluoro-1H-indol-3-yl)propyl]methanesulfonamide?
N-ethyl-N-[3-(5-fluoro-1H-indol-3-yl)propyl]methanesulfonamide has a molecular weight of 298.38 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[3-(5-fluoro-1H-indol-3-yl)propyl]methanesulfonamide is sourced from PubChem (CID 71661347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).