N-(2-ethoxypropyl)-2-fluoro-5-(methylaminomethyl)benzenesulfonamide

C13H21FN2O3S — CID 106078669

IUPACN-(2-ethoxypropyl)-2-fluoro-5-(methylaminomethyl)benzenesulfonamide
SMILESCCOC(C)CNS(=O)(=O)c1cc(CNC)ccc1F
InChIInChI=1S/C13H21FN2O3S/c1-4-19-10(2)8-16-20(17,18)13-7-11(9-15-3)5-6-12(13)14/h5-7,10,15-16H,4,8-9H2,1-3H3
InChIKeyCBYASJSOYQFBIH-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.25
Rot. Bonds8

About N-(2-ethoxypropyl)-2-fluoro-5-(methylaminomethyl)benzenesulfonamide

N-(2-ethoxypropyl)-2-fluoro-5-(methylaminomethyl)benzenesulfonamide (PubChem CID 106078669) has the molecular formula C13H21FN2O3S and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(2-ethoxypropyl)-2-fluoro-5-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethoxypropyl)-2-fluoro-5-(methylaminomethyl)benzenesulfonamide
PubChem CID106078669
Molecular FormulaC13H21FN2O3S
Molecular Weight304.39 g/mol
Exact Mass304.13
IUPAC NameN-(2-ethoxypropyl)-2-fluoro-5-(methylaminomethyl)benzenesulfonamide
SMILESCCOC(C)CNS(=O)(=O)c1cc(CNC)ccc1F
InChIInChI=1S/C13H21FN2O3S/c1-4-19-10(2)8-16-20(17,18)13-7-11(9-15-3)5-6-12(13)14/h5-7,10,15-16H,4,8-9H2,1-3H3
InChIKeyCBYASJSOYQFBIH-UHFFFAOYSA-N
XLogP1.25
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-(2-ethoxypropyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106078735
2-fluoro-N-(2-methoxypropyl)-5-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 102701408
5-chloro-N-(2-ethoxypropyl)-2-fluoro-3-(methylaminomethyl)benzenesulfonamide
CID 106078892
2-fluoro-4-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 79190978
N-(2-ethoxypropyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 114142024
2-fluoro-N-(2-methoxy-2-methylpropyl)-5-(methylaminomethyl)benzenesulfonamide
CID 106079864
N-(3,3-dimethylbutyl)-2-fluoro-5-(methylaminomethyl)benzenesulfonamide
CID 106085441
5-(aminomethyl)-N-(2-ethoxypropyl)-2-ethylbenzenesulfonamide
CID 106078747
methyl 2-(2-ethoxypropylsulfamoyl)-4-fluorobenzoate
CID 103836092
2-fluoro-5-(methylaminomethyl)-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 106062919
N-(2-ethoxypropyl)-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide
CID 116529182
2-fluoro-5-(methylaminomethyl)-N-(4-methylsulfanylbutyl)benzenesulfonamide
CID 106077995

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxypropyl)-2-fluoro-5-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of N-(2-ethoxypropyl)-2-fluoro-5-(methylaminomethyl)benzenesulfonamide (CID 106078669) is N-(2-ethoxypropyl)-2-fluoro-5-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-ethoxypropyl)-2-fluoro-5-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-(2-ethoxypropyl)-2-fluoro-5-(methylaminomethyl)benzenesulfonamide is CCOC(C)CNS(=O)(=O)c1cc(CNC)ccc1F.
What is the InChIKey of N-(2-ethoxypropyl)-2-fluoro-5-(methylaminomethyl)benzenesulfonamide?
The InChIKey is CBYASJSOYQFBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O3S/c1-4-19-10(2)8-16-20(17,18)13-7-11(9-15-3)5-6-12(13)14/h5-7,10,15-16H,4,8-9H2,1-3H3.
What are the key properties of N-(2-ethoxypropyl)-2-fluoro-5-(methylaminomethyl)benzenesulfonamide?
N-(2-ethoxypropyl)-2-fluoro-5-(methylaminomethyl)benzenesulfonamide has a molecular weight of 304.39 g/mol, XLogP of 1.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxypropyl)-2-fluoro-5-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 106078669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).