N-[3-[3-(2-fluorophenyl)pentan-3-yl]-1H-indol-7-yl]methanesulfonamide

C20H23FN2O2S — CID 58731339

IUPACN-[3-[3-(2-fluorophenyl)pentan-3-yl]-1H-indol-7-yl]methanesulfonamide
SMILESCCC(CC)(c1ccccc1F)c1c[nH]c2c(NS(C)(=O)=O)cccc12
InChIInChI=1S/C20H23FN2O2S/c1-4-20(5-2,15-10-6-7-11-17(15)21)16-13-22-19-14(16)9-8-12-18(19)23-26(3,24)25/h6-13,22-23H,4-5H2,1-3H3
InChIKeyVGXOKLRKOCDPFW-UHFFFAOYSA-N
MW374.48 g/mol
LogP4.78
Rot. Bonds6

About N-[3-[3-(2-fluorophenyl)pentan-3-yl]-1H-indol-7-yl]methanesulfonamide

N-[3-[3-(2-fluorophenyl)pentan-3-yl]-1H-indol-7-yl]methanesulfonamide (PubChem CID 58731339) has the molecular formula C20H23FN2O2S and a molecular weight of 374.48 g/mol. Its IUPAC name is N-[3-[3-(2-fluorophenyl)pentan-3-yl]-1H-indol-7-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[3-(2-fluorophenyl)pentan-3-yl]-1H-indol-7-yl]methanesulfonamide
PubChem CID58731339
Molecular FormulaC20H23FN2O2S
Molecular Weight374.48 g/mol
Exact Mass374.15
IUPAC NameN-[3-[3-(2-fluorophenyl)pentan-3-yl]-1H-indol-7-yl]methanesulfonamide
SMILESCCC(CC)(c1ccccc1F)c1c[nH]c2c(NS(C)(=O)=O)cccc12
InChIInChI=1S/C20H23FN2O2S/c1-4-20(5-2,15-10-6-7-11-17(15)21)16-13-22-19-14(16)9-8-12-18(19)23-26(3,24)25/h6-13,22-23H,4-5H2,1-3H3
InChIKeyVGXOKLRKOCDPFW-UHFFFAOYSA-N
XLogP4.78
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[3-[3-(2-fluorophenyl)pentan-3-yl]-1H-indol-7-yl]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-[3-[3-(2-fluorophenyl)pentan-3-yl]-1H-indol-7-yl]methanesulfonamide?
The IUPAC name of N-[3-[3-(2-fluorophenyl)pentan-3-yl]-1H-indol-7-yl]methanesulfonamide (CID 58731339) is N-[3-[3-(2-fluorophenyl)pentan-3-yl]-1H-indol-7-yl]methanesulfonamide.
What is the SMILES notation for N-[3-[3-(2-fluorophenyl)pentan-3-yl]-1H-indol-7-yl]methanesulfonamide?
The canonical SMILES for N-[3-[3-(2-fluorophenyl)pentan-3-yl]-1H-indol-7-yl]methanesulfonamide is CCC(CC)(c1ccccc1F)c1c[nH]c2c(NS(C)(=O)=O)cccc12.
What is the InChIKey of N-[3-[3-(2-fluorophenyl)pentan-3-yl]-1H-indol-7-yl]methanesulfonamide?
The InChIKey is VGXOKLRKOCDPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2S/c1-4-20(5-2,15-10-6-7-11-17(15)21)16-13-22-19-14(16)9-8-12-18(19)23-26(3,24)25/h6-13,22-23H,4-5H2,1-3H3.
What are the key properties of N-[3-[3-(2-fluorophenyl)pentan-3-yl]-1H-indol-7-yl]methanesulfonamide?
N-[3-[3-(2-fluorophenyl)pentan-3-yl]-1H-indol-7-yl]methanesulfonamide has a molecular weight of 374.48 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(2-fluorophenyl)pentan-3-yl]-1H-indol-7-yl]methanesulfonamide is sourced from PubChem (CID 58731339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).