3-(aminomethyl)-4-chloro-N-(2-ethoxypropyl)benzenesulfonamide

C12H19ClN2O3S — CID 106078885

IUPAC3-(aminomethyl)-4-chloro-N-(2-ethoxypropyl)benzenesulfonamide
SMILESCCOC(C)CNS(=O)(=O)c1ccc(Cl)c(CN)c1
InChIInChI=1S/C12H19ClN2O3S/c1-3-18-9(2)8-15-19(16,17)11-4-5-12(13)10(6-11)7-14/h4-6,9,15H,3,7-8,14H2,1-2H3
InChIKeyVBWGCLXVPLZSCW-UHFFFAOYSA-N
MW306.82 g/mol
LogP1.50
Rot. Bonds7

About 3-(aminomethyl)-4-chloro-N-(2-ethoxypropyl)benzenesulfonamide

3-(aminomethyl)-4-chloro-N-(2-ethoxypropyl)benzenesulfonamide (PubChem CID 106078885) has the molecular formula C12H19ClN2O3S and a molecular weight of 306.82 g/mol. Its IUPAC name is 3-(aminomethyl)-4-chloro-N-(2-ethoxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-4-chloro-N-(2-ethoxypropyl)benzenesulfonamide
PubChem CID106078885
Molecular FormulaC12H19ClN2O3S
Molecular Weight306.82 g/mol
Exact Mass306.08
IUPAC Name3-(aminomethyl)-4-chloro-N-(2-ethoxypropyl)benzenesulfonamide
SMILESCCOC(C)CNS(=O)(=O)c1ccc(Cl)c(CN)c1
InChIInChI=1S/C12H19ClN2O3S/c1-3-18-9(2)8-15-19(16,17)11-4-5-12(13)10(6-11)7-14/h4-6,9,15H,3,7-8,14H2,1-2H3
InChIKeyVBWGCLXVPLZSCW-UHFFFAOYSA-N
XLogP1.50
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-4-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 106064905
3-(aminomethyl)-4-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 106055705
3-(aminomethyl)-4-chloro-N-(4-propan-2-yloxybutyl)benzenesulfonamide
CID 106094494
4-N-(2-ethoxypropyl)benzene-1,4-disulfonamide
CID 115650655
6-(aminomethyl)-N-(2-ethoxypropyl)pyridine-3-sulfonamide
CID 114613742
5-(aminomethyl)-N-(2-ethoxypropyl)-2-ethylbenzenesulfonamide
CID 106078747
5-(aminomethyl)-N-(2-ethoxypropyl)thiophene-3-sulfonamide
CID 114142018
4-(2-aminoethoxy)-N-(2-ethoxypropyl)benzenesulfonamide
CID 106078716
N-(2-ethoxypropyl)-4-methoxybenzenesulfonamide
CID 166983040
3-(aminomethyl)-4-chloro-N-(2-ethyl-2-methylsulfanylbutyl)benzenesulfonamide
CID 106092373
3-(aminomethyl)-4-chloro-N-(1-cyclopentylethyl)benzenesulfonamide
CID 106066129
4-chloro-N-[2-(dimethylamino)propyl]-3-(ethylaminomethyl)benzenesulfonamide
CID 106017229

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-chloro-N-(2-ethoxypropyl)benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-4-chloro-N-(2-ethoxypropyl)benzenesulfonamide (CID 106078885) is 3-(aminomethyl)-4-chloro-N-(2-ethoxypropyl)benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-4-chloro-N-(2-ethoxypropyl)benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-4-chloro-N-(2-ethoxypropyl)benzenesulfonamide is CCOC(C)CNS(=O)(=O)c1ccc(Cl)c(CN)c1.
What is the InChIKey of 3-(aminomethyl)-4-chloro-N-(2-ethoxypropyl)benzenesulfonamide?
The InChIKey is VBWGCLXVPLZSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O3S/c1-3-18-9(2)8-15-19(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)-4-chloro-N-(2-ethoxypropyl)benzenesulfonamide?
3-(aminomethyl)-4-chloro-N-(2-ethoxypropyl)benzenesulfonamide has a molecular weight of 306.82 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-chloro-N-(2-ethoxypropyl)benzenesulfonamide is sourced from PubChem (CID 106078885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).