2-(aminomethyl)-5-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide

C11H17FN2O3S — CID 114141046

IUPAC2-(aminomethyl)-5-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide
SMILESCOCC(C)NS(=O)(=O)c1cc(F)ccc1CN
InChIInChI=1S/C11H17FN2O3S/c1-8(7-17-2)14-18(15,16)11-5-10(12)4-3-9(11)6-13/h3-5,8,14H,6-7,13H2,1-2H3
InChIKeyRNYQGLODVSSAGC-UHFFFAOYSA-N
MW276.33 g/mol
LogP0.60
Rot. Bonds6

About 2-(aminomethyl)-5-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide

2-(aminomethyl)-5-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide (PubChem CID 114141046) has the molecular formula C11H17FN2O3S and a molecular weight of 276.33 g/mol. Its IUPAC name is 2-(aminomethyl)-5-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-5-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide
PubChem CID114141046
Molecular FormulaC11H17FN2O3S
Molecular Weight276.33 g/mol
Exact Mass276.09
IUPAC Name2-(aminomethyl)-5-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide
SMILESCOCC(C)NS(=O)(=O)c1cc(F)ccc1CN
InChIInChI=1S/C11H17FN2O3S/c1-8(7-17-2)14-18(15,16)11-5-10(12)4-3-9(11)6-13/h3-5,8,14H,6-7,13H2,1-2H3
InChIKeyRNYQGLODVSSAGC-UHFFFAOYSA-N
XLogP0.60
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(1-ethoxy-3-methylbutan-2-yl)-5-fluorobenzenesulfonamide
CID 106093811
methyl 4-fluoro-2-(1-methoxypropan-2-ylsulfamoyl)benzoate
CID 103833409
3-(aminomethyl)-2,4-difluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 106057064
N-[(2R)-1-aminopropan-2-yl]-2,5-difluorobenzenesulfonamide
CID 104873280
2-(aminomethyl)-5-fluoro-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 106021137
2-amino-5-bromo-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 106491310
2-(aminomethyl)-5-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 106061701
2-amino-5-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 93398317
5-(aminomethyl)-N-(1-ethoxypropan-2-yl)-2-ethylbenzenesulfonamide
CID 106054244
N-[1-(dimethylamino)propan-2-yl]-2-(ethylaminomethyl)-5-fluorobenzenesulfonamide
CID 106074335
2,6-difluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 3854345
2,5-dichloro-N-[(2S)-1-methoxypropan-2-yl]benzenesulfonamide
CID 670298

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide?
The IUPAC name of 2-(aminomethyl)-5-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide (CID 114141046) is 2-(aminomethyl)-5-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-(aminomethyl)-5-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-(aminomethyl)-5-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide is COCC(C)NS(=O)(=O)c1cc(F)ccc1CN.
What is the InChIKey of 2-(aminomethyl)-5-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide?
The InChIKey is RNYQGLODVSSAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O3S/c1-8(7-17-2)14-18(15,16)11-5-10(12)4-3-9(11)6-13/h3-5,8,14H,6-7,13H2,1-2H3.
What are the key properties of 2-(aminomethyl)-5-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide?
2-(aminomethyl)-5-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide has a molecular weight of 276.33 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 114141046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).