3-(aminomethyl)-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide

C12H20FN3O2S — CID 63288638

IUPAC3-(aminomethyl)-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide
SMILESCC(CNS(=O)(=O)c1ccc(F)c(CN)c1)N(C)C
InChIInChI=1S/C12H20FN3O2S/c1-9(16(2)3)8-15-19(17,18)11-4-5-12(13)10(6-11)7-14/h4-6,9,15H,7-8,14H2,1-3H3
InChIKeyGCVVYTYWPJFKAM-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.51
Rot. Bonds6

About 3-(aminomethyl)-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide

3-(aminomethyl)-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide (PubChem CID 63288638) has the molecular formula C12H20FN3O2S and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide
PubChem CID63288638
Molecular FormulaC12H20FN3O2S
Molecular Weight289.38 g/mol
Exact Mass289.13
IUPAC Name3-(aminomethyl)-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide
SMILESCC(CNS(=O)(=O)c1ccc(F)c(CN)c1)N(C)C
InChIInChI=1S/C12H20FN3O2S/c1-9(16(2)3)8-15-19(17,18)11-4-5-12(13)10(6-11)7-14/h4-6,9,15H,7-8,14H2,1-3H3
InChIKeyGCVVYTYWPJFKAM-UHFFFAOYSA-N
XLogP0.51
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 63287982
3-(aminomethyl)-4-fluoro-N-(3-methylbutyl)benzenesulfonamide
CID 28716883
N-[2-(dimethylamino)propyl]-3-fluoro-4-nitrobenzenesulfonamide
CID 82844132
3-(aminomethyl)-4-fluoro-N-(5-methylhexyl)benzenesulfonamide
CID 115325164
3-(aminomethyl)-N-[4-(dimethylamino)butan-2-yl]-4-fluorobenzenesulfonamide
CID 63289077
3-(aminomethyl)-4-fluoro-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 55172499
3-(aminomethyl)-N-[2-(ethylsulfamoyl)ethyl]-4-fluorobenzenesulfonamide
CID 106335878
N-[2-[cyclopropyl(methyl)amino]propyl]-4-fluoro-3-(hydroxymethyl)benzenesulfonamide
CID 106013834
3-(aminomethyl)-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 28716684
4-(3-aminopropyl)-N-[2-(dimethylamino)propyl]benzenesulfonamide
CID 106017203
4-chloro-N-[2-(dimethylamino)propyl]-3-(ethylaminomethyl)benzenesulfonamide
CID 106017229
3-(aminomethyl)-N-(1-ethylsulfanylpropan-2-yl)-4-fluorobenzenesulfonamide
CID 106083184

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide (CID 63288638) is 3-(aminomethyl)-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide is CC(CNS(=O)(=O)c1ccc(F)c(CN)c1)N(C)C.
What is the InChIKey of 3-(aminomethyl)-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide?
The InChIKey is GCVVYTYWPJFKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN3O2S/c1-9(16(2)3)8-15-19(17,18)11-4-5-12(13)10(6-11)7-14/h4-6,9,15H,7-8,14H2,1-3H3.
What are the key properties of 3-(aminomethyl)-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide?
3-(aminomethyl)-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide has a molecular weight of 289.38 g/mol, XLogP of 0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 63288638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).