5-(aminomethyl)-2-ethyl-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide

C14H24N2O4S — CID 106051201

IUPAC5-(aminomethyl)-2-ethyl-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide
SMILESCCc1ccc(CN)cc1S(=O)(=O)NCCOCCOC
InChIInChI=1S/C14H24N2O4S/c1-3-13-5-4-12(11-15)10-14(13)21(17,18)16-6-7-20-9-8-19-2/h4-5,10,16H,3,6-9,11,15H2,1-2H3
InChIKeyQKSZDELGLHRMDO-UHFFFAOYSA-N
MW316.42 g/mol
LogP0.65
Rot. Bonds10

About 5-(aminomethyl)-2-ethyl-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide

5-(aminomethyl)-2-ethyl-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide (PubChem CID 106051201) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is 5-(aminomethyl)-2-ethyl-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-ethyl-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide
PubChem CID106051201
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Name5-(aminomethyl)-2-ethyl-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide
SMILESCCc1ccc(CN)cc1S(=O)(=O)NCCOCCOC
InChIInChI=1S/C14H24N2O4S/c1-3-13-5-4-12(11-15)10-14(13)21(17,18)16-6-7-20-9-8-19-2/h4-5,10,16H,3,6-9,11,15H2,1-2H3
InChIKeyQKSZDELGLHRMDO-UHFFFAOYSA-N
XLogP0.65
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-2-fluoro-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide
CID 106051244
5-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]-2,4-dimethylbenzenesulfonamide
CID 106051218
4-(aminomethyl)-2-chloro-N-(2-ethoxyethyl)benzenesulfonamide
CID 113370382
5-(aminomethyl)-N-(2-ethoxypropyl)-2-ethylbenzenesulfonamide
CID 106078747
5-(aminomethyl)-2-chloro-N-(4-methoxybutyl)benzenesulfonamide
CID 106053951
5-(aminomethyl)-2-ethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 106054562
5-(aminomethyl)-2-ethyl-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide
CID 106090964
5-(aminomethyl)-2-ethyl-N-(2-methyl-2-methylsulfanylpropyl)benzenesulfonamide
CID 106080861
5-(aminomethyl)-2-ethyl-N-(2-imidazol-1-ylethyl)benzenesulfonamide
CID 106018079
2-hydroxy-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide
CID 81241088
5-(aminomethyl)-2-ethyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031396
5-(aminomethyl)-N-(1-ethoxypropan-2-yl)-2-ethylbenzenesulfonamide
CID 106054244

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-ethyl-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2-ethyl-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide (CID 106051201) is 5-(aminomethyl)-2-ethyl-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-ethyl-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-ethyl-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide is CCc1ccc(CN)cc1S(=O)(=O)NCCOCCOC.
What is the InChIKey of 5-(aminomethyl)-2-ethyl-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide?
The InChIKey is QKSZDELGLHRMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-3-13-5-4-12(11-15)10-14(13)21(17,18)16-6-7-20-9-8-19-2/h4-5,10,16H,3,6-9,11,15H2,1-2H3.
What are the key properties of 5-(aminomethyl)-2-ethyl-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide?
5-(aminomethyl)-2-ethyl-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide has a molecular weight of 316.42 g/mol, XLogP of 0.65, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-ethyl-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide is sourced from PubChem (CID 106051201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).