4-(2-aminoethyl)-N-ethylbenzenesulfonamide

C10H16N2O2S — CID 16643231

IUPAC4-(2-aminoethyl)-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(CCN)cc1
InChIInChI=1S/C10H16N2O2S/c1-2-12-15(13,14)10-5-3-9(4-6-10)7-8-11/h3-6,12H,2,7-8,11H2,1H3
InChIKeyNWOVQZZKMGLYBD-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.49
Rot. Bonds5

About 4-(2-aminoethyl)-N-ethylbenzenesulfonamide

4-(2-aminoethyl)-N-ethylbenzenesulfonamide (PubChem CID 16643231) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-ethylbenzenesulfonamide
PubChem CID16643231
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name4-(2-aminoethyl)-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(CCN)cc1
InChIInChI=1S/C10H16N2O2S/c1-2-12-15(13,14)10-5-3-9(4-6-10)7-8-11/h3-6,12H,2,7-8,11H2,1H3
InChIKeyNWOVQZZKMGLYBD-UHFFFAOYSA-N
XLogP0.49
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminoethyl)-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 79185763
N-(3-aminopropyl)-4-propylbenzenesulfonamide
CID 43605819
4-(2-aminoethyl)-N-butan-2-ylbenzenesulfonamide
CID 16643225
4-amino-N-ethylbenzenesulfonamide;molecular hydrogen
CID 143629087
4-(2-aminoethyl)-N',N'-dimethylbenzenesulfonohydrazide
CID 83014637
4-[4-(2-aminoethyl)phenyl]-N-methylbenzenesulfonamide
CID 171387358
N-ethyl-4-(methylaminomethyl)benzenesulfonamide
CID 60821797
N-ethyl-4-(methylsulfonylmethyl)benzenesulfonamide
CID 160796965
4-(3-aminopropyl)-N-butylbenzenesulfonamide
CID 28807103
N-[2-[4-(ethylsulfamoyl)phenyl]ethyl]propanamide
CID 112507167
N-(2-aminoethyl)-4-ethylbenzenesulfonamide
CID 28753957
N-[3-(2-aminoethoxy)propyl]-4-propylbenzenesulfonamide
CID 106308170

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-ethylbenzenesulfonamide?
The IUPAC name of 4-(2-aminoethyl)-N-ethylbenzenesulfonamide (CID 16643231) is 4-(2-aminoethyl)-N-ethylbenzenesulfonamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-ethylbenzenesulfonamide?
The canonical SMILES for 4-(2-aminoethyl)-N-ethylbenzenesulfonamide is CCNS(=O)(=O)c1ccc(CCN)cc1.
What is the InChIKey of 4-(2-aminoethyl)-N-ethylbenzenesulfonamide?
The InChIKey is NWOVQZZKMGLYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-2-12-15(13,14)10-5-3-9(4-6-10)7-8-11/h3-6,12H,2,7-8,11H2,1H3.
What are the key properties of 4-(2-aminoethyl)-N-ethylbenzenesulfonamide?
4-(2-aminoethyl)-N-ethylbenzenesulfonamide has a molecular weight of 228.32 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-ethylbenzenesulfonamide is sourced from PubChem (CID 16643231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).