N-[[5-fluoro-1-(naphthalen-1-ylmethyl)indol-3-yl]methyl]-N-methylmethanesulfonamide

C22H21FN2O2S — CID 141176795

IUPACN-[[5-fluoro-1-(naphthalen-1-ylmethyl)indol-3-yl]methyl]-N-methylmethanesulfonamide
SMILESCN(Cc1cn(Cc2cccc3ccccc23)c2ccc(F)cc12)S(C)(=O)=O
InChIInChI=1S/C22H21FN2O2S/c1-24(28(2,26)27)13-18-15-25(22-11-10-19(23)12-21(18)22)14-17-8-5-7-16-6-3-4-9-20(16)17/h3-12,15H,13-14H2,1-2H3
InChIKeyYLSGVIMIYVXIMT-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.37
Rot. Bonds5

About N-[[5-fluoro-1-(naphthalen-1-ylmethyl)indol-3-yl]methyl]-N-methylmethanesulfonamide

N-[[5-fluoro-1-(naphthalen-1-ylmethyl)indol-3-yl]methyl]-N-methylmethanesulfonamide (PubChem CID 141176795) has the molecular formula C22H21FN2O2S and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[[5-fluoro-1-(naphthalen-1-ylmethyl)indol-3-yl]methyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[[5-fluoro-1-(naphthalen-1-ylmethyl)indol-3-yl]methyl]-N-methylmethanesulfonamide
PubChem CID141176795
Molecular FormulaC22H21FN2O2S
Molecular Weight396.49 g/mol
Exact Mass396.13
IUPAC NameN-[[5-fluoro-1-(naphthalen-1-ylmethyl)indol-3-yl]methyl]-N-methylmethanesulfonamide
SMILESCN(Cc1cn(Cc2cccc3ccccc23)c2ccc(F)cc12)S(C)(=O)=O
InChIInChI=1S/C22H21FN2O2S/c1-24(28(2,26)27)13-18-15-25(22-11-10-19(23)12-21(18)22)14-17-8-5-7-16-6-3-4-9-20(16)17/h3-12,15H,13-14H2,1-2H3
InChIKeyYLSGVIMIYVXIMT-UHFFFAOYSA-N
XLogP4.37
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(ethoxymethyl)-5-fluoro-1-(naphthalen-1-ylmethyl)indole
CID 152686747
3-(1-ethyl-5-fluoroindol-3-yl)-N,N-dimethylpropan-1-amine
CID 170867012
N-(dimethylsulfamoyl)-N-methyl-1-naphthalen-1-ylmethanamine
CID 47319808
2-[6-fluoro-1-[(2-fluorophenyl)methyl]-4-oxoquinolin-3-yl]acetic acid
CID 45274855
N-(isoquinolin-5-ylmethyl)-N-methylmethanesulfonamide
CID 131936529
1-ethyl-5-fluoro-3-(propan-2-ylsulfonylmethyl)indole
CID 117175519
3-[2-[ethyl(methyl)amino]-2-oxoethyl]-5-fluoro-1-(naphthalen-1-ylmethyl)indole-2-carboxylic acid
CID 58900226
1-ethyl-7-fluoronaphthalene
CID 166534047
1-(naphthalen-1-ylmethyl)indole-3-carboxylic acid
CID 91690124
(2S)-1-(1-benzyl-5-fluoroindol-3-yl)propan-2-amine
CID 41063932
4-fluoro-N-methyl-N-(2-naphthalen-1-ylethyl)benzenesulfonamide
CID 154857610
3-(aminomethyl)-5-fluoro-1-(naphthalen-1-ylmethyl)indole-2-carboxylic acid;hydrochloride
CID 68579781

Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-1-(naphthalen-1-ylmethyl)indol-3-yl]methyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[[5-fluoro-1-(naphthalen-1-ylmethyl)indol-3-yl]methyl]-N-methylmethanesulfonamide (CID 141176795) is N-[[5-fluoro-1-(naphthalen-1-ylmethyl)indol-3-yl]methyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[[5-fluoro-1-(naphthalen-1-ylmethyl)indol-3-yl]methyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[[5-fluoro-1-(naphthalen-1-ylmethyl)indol-3-yl]methyl]-N-methylmethanesulfonamide is CN(Cc1cn(Cc2cccc3ccccc23)c2ccc(F)cc12)S(C)(=O)=O.
What is the InChIKey of N-[[5-fluoro-1-(naphthalen-1-ylmethyl)indol-3-yl]methyl]-N-methylmethanesulfonamide?
The InChIKey is YLSGVIMIYVXIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O2S/c1-24(28(2,26)27)13-18-15-25(22-11-10-19(23)12-21(18)22)14-17-8-5-7-16-6-3-4-9-20(16)17/h3-12,15H,13-14H2,1-2H3.
What are the key properties of N-[[5-fluoro-1-(naphthalen-1-ylmethyl)indol-3-yl]methyl]-N-methylmethanesulfonamide?
N-[[5-fluoro-1-(naphthalen-1-ylmethyl)indol-3-yl]methyl]-N-methylmethanesulfonamide has a molecular weight of 396.49 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-1-(naphthalen-1-ylmethyl)indol-3-yl]methyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 141176795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).