4-amino-N-ethyl-3-(2-propoxyethoxy)benzenesulfonamide

C13H22N2O4S — CID 82900824

IUPAC4-amino-N-ethyl-3-(2-propoxyethoxy)benzenesulfonamide
SMILESCCCOCCOc1cc(S(=O)(=O)NCC)ccc1N
InChIInChI=1S/C13H22N2O4S/c1-3-7-18-8-9-19-13-10-11(5-6-12(13)14)20(16,17)15-4-2/h5-6,10,15H,3-4,7-9,14H2,1-2H3
InChIKeyMJNQGJOWHLOCEC-UHFFFAOYSA-N
MW302.40 g/mol
LogP1.37
Rot. Bonds9

About 4-amino-N-ethyl-3-(2-propoxyethoxy)benzenesulfonamide

4-amino-N-ethyl-3-(2-propoxyethoxy)benzenesulfonamide (PubChem CID 82900824) has the molecular formula C13H22N2O4S and a molecular weight of 302.40 g/mol. Its IUPAC name is 4-amino-N-ethyl-3-(2-propoxyethoxy)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-ethyl-3-(2-propoxyethoxy)benzenesulfonamide
PubChem CID82900824
Molecular FormulaC13H22N2O4S
Molecular Weight302.40 g/mol
Exact Mass302.13
IUPAC Name4-amino-N-ethyl-3-(2-propoxyethoxy)benzenesulfonamide
SMILESCCCOCCOc1cc(S(=O)(=O)NCC)ccc1N
InChIInChI=1S/C13H22N2O4S/c1-3-7-18-8-9-19-13-10-11(5-6-12(13)14)20(16,17)15-4-2/h5-6,10,15H,3-4,7-9,14H2,1-2H3
InChIKeyMJNQGJOWHLOCEC-UHFFFAOYSA-N
XLogP1.37
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-amino-N-ethyl-3-(2-propoxyethoxy)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-3-(2-propoxyethoxy)benzenesulfonamide
CID 82898491
4-amino-N-ethyl-3-(3,3,3-trifluoropropoxy)benzenesulfonamide
CID 82954770
4-amino-N-ethyl-3-(4,4,4-trifluorobutoxy)benzenesulfonamide
CID 82902346
3-amino-N-methyl-4-(2-propoxyethoxy)benzenesulfonamide
CID 55234253
4-ethylsulfonyl-2-propoxyaniline
CID 63670906
4-amino-3-(2-ethoxyethoxy)benzenesulfonamide
CID 82900278
4-amino-N-ethyl-3-(3-methylbutan-2-yloxy)benzenesulfonamide
CID 82901044
4-methyl-2-(2-propoxyethoxy)aniline
CID 26189548
4-fluoro-2-(2-propoxyethoxy)aniline
CID 63684494
4-amino-3-methoxy-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide
CID 81437876
4-amino-N-ethyl-3-(2-methylphenoxy)benzenesulfonamide
CID 82903326
4-amino-3-(2-chlorophenoxy)-N-ethylbenzenesulfonamide
CID 82902167

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-3-(2-propoxyethoxy)benzenesulfonamide?
The IUPAC name of 4-amino-N-ethyl-3-(2-propoxyethoxy)benzenesulfonamide (CID 82900824) is 4-amino-N-ethyl-3-(2-propoxyethoxy)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-ethyl-3-(2-propoxyethoxy)benzenesulfonamide?
The canonical SMILES for 4-amino-N-ethyl-3-(2-propoxyethoxy)benzenesulfonamide is CCCOCCOc1cc(S(=O)(=O)NCC)ccc1N.
What is the InChIKey of 4-amino-N-ethyl-3-(2-propoxyethoxy)benzenesulfonamide?
The InChIKey is MJNQGJOWHLOCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S/c1-3-7-18-8-9-19-13-10-11(5-6-12(13)14)20(16,17)15-4-2/h5-6,10,15H,3-4,7-9,14H2,1-2H3.
What are the key properties of 4-amino-N-ethyl-3-(2-propoxyethoxy)benzenesulfonamide?
4-amino-N-ethyl-3-(2-propoxyethoxy)benzenesulfonamide has a molecular weight of 302.40 g/mol, XLogP of 1.37, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-3-(2-propoxyethoxy)benzenesulfonamide is sourced from PubChem (CID 82900824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).