N-butyl-2-(ethylaminomethyl)-5-fluoro-N-methylbenzenesulfonamide

C14H23FN2O2S — CID 102920241

IUPACN-butyl-2-(ethylaminomethyl)-5-fluoro-N-methylbenzenesulfonamide
SMILESCCCCN(C)S(=O)(=O)c1cc(F)ccc1CNCC
InChIInChI=1S/C14H23FN2O2S/c1-4-6-9-17(3)20(18,19)14-10-13(15)8-7-12(14)11-16-5-2/h7-8,10,16H,4-6,9,11H2,1-3H3
InChIKeyPNBRYJIOBLZWQQ-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.36
Rot. Bonds8

About N-butyl-2-(ethylaminomethyl)-5-fluoro-N-methylbenzenesulfonamide

N-butyl-2-(ethylaminomethyl)-5-fluoro-N-methylbenzenesulfonamide (PubChem CID 102920241) has the molecular formula C14H23FN2O2S and a molecular weight of 302.42 g/mol. Its IUPAC name is N-butyl-2-(ethylaminomethyl)-5-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-butyl-2-(ethylaminomethyl)-5-fluoro-N-methylbenzenesulfonamide
PubChem CID102920241
Molecular FormulaC14H23FN2O2S
Molecular Weight302.42 g/mol
Exact Mass302.15
IUPAC NameN-butyl-2-(ethylaminomethyl)-5-fluoro-N-methylbenzenesulfonamide
SMILESCCCCN(C)S(=O)(=O)c1cc(F)ccc1CNCC
InChIInChI=1S/C14H23FN2O2S/c1-4-6-9-17(3)20(18,19)14-10-13(15)8-7-12(14)11-16-5-2/h7-8,10,16H,4-6,9,11H2,1-3H3
InChIKeyPNBRYJIOBLZWQQ-UHFFFAOYSA-N
XLogP2.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-butyl-2-(ethylaminomethyl)-5-fluoro-N-methylbenzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

5-fluoro-2-(hydroxymethyl)-N-methyl-N-pentylbenzenesulfonamide
CID 102919704
N-[3-(dimethylamino)propyl]-5-fluoro-N-methyl-2-(methylaminomethyl)benzenesulfonamide
CID 102920795
2-(chloromethyl)-5-fluoro-N-methyl-N-pentylbenzenesulfonamide
CID 102920022
2-(ethylaminomethyl)-5-fluoro-N-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 102920813
5-fluoro-N-methyl-2-(methylaminomethyl)-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 102920881
5-fluoro-N-methyl-2-(propylaminomethyl)-N-prop-2-ynylbenzenesulfonamide
CID 102920924
2-(ethylaminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-fluorobenzenesulfonamide
CID 106055804
N-(cyclopropylmethyl)-N-ethyl-2-(ethylaminomethyl)-5-fluorobenzenesulfonamide
CID 102920810
N,N-dibutyl-2-(ethylaminomethyl)-4-fluoroaniline
CID 43313896
N-[1-(dimethylamino)propan-2-yl]-2-(ethylaminomethyl)-5-fluorobenzenesulfonamide
CID 106074335
2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(4-fluorophenyl)acetamide
CID 24616569
2-(chloromethyl)-N-ethyl-5-fluoro-N-methylbenzenesulfonamide
CID 102920020

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(ethylaminomethyl)-5-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-butyl-2-(ethylaminomethyl)-5-fluoro-N-methylbenzenesulfonamide (CID 102920241) is N-butyl-2-(ethylaminomethyl)-5-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-butyl-2-(ethylaminomethyl)-5-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-butyl-2-(ethylaminomethyl)-5-fluoro-N-methylbenzenesulfonamide is CCCCN(C)S(=O)(=O)c1cc(F)ccc1CNCC.
What is the InChIKey of N-butyl-2-(ethylaminomethyl)-5-fluoro-N-methylbenzenesulfonamide?
The InChIKey is PNBRYJIOBLZWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O2S/c1-4-6-9-17(3)20(18,19)14-10-13(15)8-7-12(14)11-16-5-2/h7-8,10,16H,4-6,9,11H2,1-3H3.
What are the key properties of N-butyl-2-(ethylaminomethyl)-5-fluoro-N-methylbenzenesulfonamide?
N-butyl-2-(ethylaminomethyl)-5-fluoro-N-methylbenzenesulfonamide has a molecular weight of 302.42 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(ethylaminomethyl)-5-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 102920241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).