N-(2-ethoxyethyl)-2-(ethylaminomethyl)benzenesulfonamide

C13H22N2O3S — CID 106019677

IUPACN-(2-ethoxyethyl)-2-(ethylaminomethyl)benzenesulfonamide
SMILESCCNCc1ccccc1S(=O)(=O)NCCOCC
InChIInChI=1S/C13H22N2O3S/c1-3-14-11-12-7-5-6-8-13(12)19(16,17)15-9-10-18-4-2/h5-8,14-15H,3-4,9-11H2,1-2H3
InChIKeyIPAGEYQKBFTYDG-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.11
Rot. Bonds9

About N-(2-ethoxyethyl)-2-(ethylaminomethyl)benzenesulfonamide

N-(2-ethoxyethyl)-2-(ethylaminomethyl)benzenesulfonamide (PubChem CID 106019677) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-2-(ethylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-2-(ethylaminomethyl)benzenesulfonamide
PubChem CID106019677
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC NameN-(2-ethoxyethyl)-2-(ethylaminomethyl)benzenesulfonamide
SMILESCCNCc1ccccc1S(=O)(=O)NCCOCC
InChIInChI=1S/C13H22N2O3S/c1-3-14-11-12-7-5-6-8-13(12)19(16,17)15-9-10-18-4-2/h5-8,14-15H,3-4,9-11H2,1-2H3
InChIKeyIPAGEYQKBFTYDG-UHFFFAOYSA-N
XLogP1.11
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylaminomethyl)-N-(3-propoxypropyl)benzenesulfonamide
CID 106074176
2,4-dichloro-N-(2-ethoxyethyl)-3-(ethylaminomethyl)benzenesulfonamide
CID 106019442
N-(2-ethoxyethyl)-5-(ethylaminomethyl)-2-methoxybenzenesulfonamide
CID 106019817
N-(2-ethoxyethyl)-5-fluoro-2-(propylaminomethyl)benzenesulfonamide
CID 106020014
2-ethoxy-N-[2-(ethylaminomethyl)phenyl]ethanesulfonamide
CID 63246620
N-(3-ethoxypropyl)-2-methoxybenzenesulfonamide
CID 47104251
2-(ethylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 106053747
2-[2-[[2-(aminomethyl)phenyl]sulfonylamino]ethoxy]acetamide
CID 106235304
2-(aminomethyl)-N-(2-ethoxyethyl)pyridine-3-sulfonamide
CID 106593983
2-(ethylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106423811
5-amino-N-[2-(2-ethoxyethoxy)ethyl]naphthalene-1-sulfonamide
CID 15680796
2-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 106067499

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-2-(ethylaminomethyl)benzenesulfonamide?
The IUPAC name of N-(2-ethoxyethyl)-2-(ethylaminomethyl)benzenesulfonamide (CID 106019677) is N-(2-ethoxyethyl)-2-(ethylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-ethoxyethyl)-2-(ethylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-(2-ethoxyethyl)-2-(ethylaminomethyl)benzenesulfonamide is CCNCc1ccccc1S(=O)(=O)NCCOCC.
What is the InChIKey of N-(2-ethoxyethyl)-2-(ethylaminomethyl)benzenesulfonamide?
The InChIKey is IPAGEYQKBFTYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-3-14-11-12-7-5-6-8-13(12)19(16,17)15-9-10-18-4-2/h5-8,14-15H,3-4,9-11H2,1-2H3.
What are the key properties of N-(2-ethoxyethyl)-2-(ethylaminomethyl)benzenesulfonamide?
N-(2-ethoxyethyl)-2-(ethylaminomethyl)benzenesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.11, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-2-(ethylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 106019677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).