3-(aminomethyl)-N-(1-ethoxypropan-2-yl)-4-fluorobenzenesulfonamide

C12H19FN2O3S — CID 63288410

IUPAC3-(aminomethyl)-N-(1-ethoxypropan-2-yl)-4-fluorobenzenesulfonamide
SMILESCCOCC(C)NS(=O)(=O)c1ccc(F)c(CN)c1
InChIInChI=1S/C12H19FN2O3S/c1-3-18-8-9(2)15-19(16,17)11-4-5-12(13)10(6-11)7-14/h4-6,9,15H,3,7-8,14H2,1-2H3
InChIKeyQZRCRDIIFCBKBA-UHFFFAOYSA-N
MW290.36 g/mol
LogP0.99
Rot. Bonds7

About 3-(aminomethyl)-N-(1-ethoxypropan-2-yl)-4-fluorobenzenesulfonamide

3-(aminomethyl)-N-(1-ethoxypropan-2-yl)-4-fluorobenzenesulfonamide (PubChem CID 63288410) has the molecular formula C12H19FN2O3S and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(1-ethoxypropan-2-yl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(1-ethoxypropan-2-yl)-4-fluorobenzenesulfonamide
PubChem CID63288410
Molecular FormulaC12H19FN2O3S
Molecular Weight290.36 g/mol
Exact Mass290.11
IUPAC Name3-(aminomethyl)-N-(1-ethoxypropan-2-yl)-4-fluorobenzenesulfonamide
SMILESCCOCC(C)NS(=O)(=O)c1ccc(F)c(CN)c1
InChIInChI=1S/C12H19FN2O3S/c1-3-18-8-9(2)15-19(16,17)11-4-5-12(13)10(6-11)7-14/h4-6,9,15H,3,7-8,14H2,1-2H3
InChIKeyQZRCRDIIFCBKBA-UHFFFAOYSA-N
XLogP0.99
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-(1-ethoxypropan-2-yl)-3-methylbenzenesulfonamide
CID 106919310
3-(aminomethyl)-4-fluoro-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 55172499
3-(aminomethyl)-N-(1-ethylsulfanylpropan-2-yl)-4-fluorobenzenesulfonamide
CID 106083184
N-(1-ethoxypropan-2-yl)-4-ethyl-3-(methylaminomethyl)benzenesulfonamide
CID 106054288
3-(aminomethyl)-N-[4-(dimethylamino)butan-2-yl]-4-fluorobenzenesulfonamide
CID 63289077
5-(aminomethyl)-N-(1-ethoxypropan-2-yl)-2-fluorobenzenesulfonamide
CID 106054235
3-(aminomethyl)-4-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide
CID 63288766
4-amino-3-chloro-N-(1-ethoxypropan-2-yl)benzenesulfonamide
CID 113288423
4-(2-aminoethoxy)-N-(1-ethoxypropan-2-yl)benzenesulfonamide
CID 106054212
N-[(2R)-1-aminopropan-2-yl]-3,4-difluorobenzenesulfonamide
CID 104873374
3-(aminomethyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 63287982
5-(aminomethyl)-N-(1-ethoxypropan-2-yl)-2-ethylbenzenesulfonamide
CID 106054244

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(1-ethoxypropan-2-yl)-4-fluorobenzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-(1-ethoxypropan-2-yl)-4-fluorobenzenesulfonamide (CID 63288410) is 3-(aminomethyl)-N-(1-ethoxypropan-2-yl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-(1-ethoxypropan-2-yl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-(1-ethoxypropan-2-yl)-4-fluorobenzenesulfonamide is CCOCC(C)NS(=O)(=O)c1ccc(F)c(CN)c1.
What is the InChIKey of 3-(aminomethyl)-N-(1-ethoxypropan-2-yl)-4-fluorobenzenesulfonamide?
The InChIKey is QZRCRDIIFCBKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O3S/c1-3-18-8-9(2)15-19(16,17)11-4-5-12(13)10(6-11)7-14/h4-6,9,15H,3,7-8,14H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-(1-ethoxypropan-2-yl)-4-fluorobenzenesulfonamide?
3-(aminomethyl)-N-(1-ethoxypropan-2-yl)-4-fluorobenzenesulfonamide has a molecular weight of 290.36 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(1-ethoxypropan-2-yl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 63288410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).