N-(1-ethoxypropan-2-yl)-4-ethyl-3-(methylaminomethyl)benzenesulfonamide

C15H26N2O3S — CID 106054288

IUPACN-(1-ethoxypropan-2-yl)-4-ethyl-3-(methylaminomethyl)benzenesulfonamide
SMILESCCOCC(C)NS(=O)(=O)c1ccc(CC)c(CNC)c1
InChIInChI=1S/C15H26N2O3S/c1-5-13-7-8-15(9-14(13)10-16-4)21(18,19)17-12(3)11-20-6-2/h7-9,12,16-17H,5-6,10-11H2,1-4H3
InChIKeyWVBJUEIQZYBYSL-UHFFFAOYSA-N
MW314.45 g/mol
LogP1.67
Rot. Bonds9

About N-(1-ethoxypropan-2-yl)-4-ethyl-3-(methylaminomethyl)benzenesulfonamide

N-(1-ethoxypropan-2-yl)-4-ethyl-3-(methylaminomethyl)benzenesulfonamide (PubChem CID 106054288) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is N-(1-ethoxypropan-2-yl)-4-ethyl-3-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-ethoxypropan-2-yl)-4-ethyl-3-(methylaminomethyl)benzenesulfonamide
PubChem CID106054288
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC NameN-(1-ethoxypropan-2-yl)-4-ethyl-3-(methylaminomethyl)benzenesulfonamide
SMILESCCOCC(C)NS(=O)(=O)c1ccc(CC)c(CNC)c1
InChIInChI=1S/C15H26N2O3S/c1-5-13-7-8-15(9-14(13)10-16-4)21(18,19)17-12(3)11-20-6-2/h7-9,12,16-17H,5-6,10-11H2,1-4H3
InChIKeyWVBJUEIQZYBYSL-UHFFFAOYSA-N
XLogP1.67
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N-(1-ethoxypropan-2-yl)-4-fluorobenzenesulfonamide
CID 63288410
4-(aminomethyl)-N-(1-ethoxypropan-2-yl)-3-methylbenzenesulfonamide
CID 106919310
N-(1-ethoxypropan-2-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106054219
N-(1-ethoxypropan-2-yl)benzenesulfonamide
CID 47957316
4-amino-3-chloro-N-(1-ethoxypropan-2-yl)benzenesulfonamide
CID 113288423
3-chloro-4-cyano-N-(1-ethoxypropan-2-yl)benzenesulfonamide
CID 112686588
3-chloro-4-(methylaminomethyl)-N-pentan-2-ylbenzenesulfonamide
CID 106046479
4-(2-aminoethoxy)-N-(1-ethoxypropan-2-yl)benzenesulfonamide
CID 106054212
4-fluoro-N-(4-methoxybutan-2-yl)-3-(methylaminomethyl)benzenesulfonamide
CID 106067547
5-(aminomethyl)-N-(1-ethoxypropan-2-yl)-2-ethylbenzenesulfonamide
CID 106054244
1-cyclopropyl-N-(1-ethoxypropan-2-yl)-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106054197
N-(1-ethoxypropan-2-yl)-2-methoxy-5-(methylaminomethyl)benzenesulfonamide
CID 106054326

Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxypropan-2-yl)-4-ethyl-3-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of N-(1-ethoxypropan-2-yl)-4-ethyl-3-(methylaminomethyl)benzenesulfonamide (CID 106054288) is N-(1-ethoxypropan-2-yl)-4-ethyl-3-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-(1-ethoxypropan-2-yl)-4-ethyl-3-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-(1-ethoxypropan-2-yl)-4-ethyl-3-(methylaminomethyl)benzenesulfonamide is CCOCC(C)NS(=O)(=O)c1ccc(CC)c(CNC)c1.
What is the InChIKey of N-(1-ethoxypropan-2-yl)-4-ethyl-3-(methylaminomethyl)benzenesulfonamide?
The InChIKey is WVBJUEIQZYBYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-5-13-7-8-15(9-14(13)10-16-4)21(18,19)17-12(3)11-20-6-2/h7-9,12,16-17H,5-6,10-11H2,1-4H3.
What are the key properties of N-(1-ethoxypropan-2-yl)-4-ethyl-3-(methylaminomethyl)benzenesulfonamide?
N-(1-ethoxypropan-2-yl)-4-ethyl-3-(methylaminomethyl)benzenesulfonamide has a molecular weight of 314.45 g/mol, XLogP of 1.67, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxypropan-2-yl)-4-ethyl-3-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 106054288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).