4-amino-3-(2-ethoxyethylamino)-N-ethylbenzenesulfonamide

C12H21N3O3S — CID 82898095

IUPAC4-amino-3-(2-ethoxyethylamino)-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(N)c(NCCOCC)c1
InChIInChI=1S/C12H21N3O3S/c1-3-15-19(16,17)10-5-6-11(13)12(9-10)14-7-8-18-4-2/h5-6,9,14-15H,3-4,7-8,13H2,1-2H3
InChIKeyNCVBRLSXBSKCLI-UHFFFAOYSA-N
MW287.39 g/mol
LogP1.02
Rot. Bonds8

About 4-amino-3-(2-ethoxyethylamino)-N-ethylbenzenesulfonamide

4-amino-3-(2-ethoxyethylamino)-N-ethylbenzenesulfonamide (PubChem CID 82898095) has the molecular formula C12H21N3O3S and a molecular weight of 287.39 g/mol. Its IUPAC name is 4-amino-3-(2-ethoxyethylamino)-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(2-ethoxyethylamino)-N-ethylbenzenesulfonamide
PubChem CID82898095
Molecular FormulaC12H21N3O3S
Molecular Weight287.39 g/mol
Exact Mass287.13
IUPAC Name4-amino-3-(2-ethoxyethylamino)-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(N)c(NCCOCC)c1
InChIInChI=1S/C12H21N3O3S/c1-3-15-19(16,17)10-5-6-11(13)12(9-10)14-7-8-18-4-2/h5-6,9,14-15H,3-4,7-8,13H2,1-2H3
InChIKeyNCVBRLSXBSKCLI-UHFFFAOYSA-N
XLogP1.02
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-ethoxyethylamino)-N-ethylbenzenesulfonamide
CID 43591283
4-amino-3-(2,2-difluoroethylamino)-N-ethylbenzenesulfonamide
CID 82901311
4-amino-3-[2-(2-methoxyethoxy)ethylamino]-N-methylbenzenesulfonamide
CID 82899707
4-amino-3-[2-(dimethylamino)propylamino]-N-ethylbenzenesulfonamide
CID 82900023
3-amino-4-(2-ethoxyethylamino)benzenesulfonamide
CID 43591103
4-amino-N-ethyl-3-(3-methylpentan-3-ylamino)benzenesulfonamide
CID 106328090
4-amino-3-(2-butoxyethylamino)benzenesulfonamide
CID 82908082
2-[2-amino-5-(ethylsulfamoyl)anilino]-N-ethylacetamide
CID 82899334
4-bromo-2-N-(2-ethoxyethyl)benzene-1,2-diamine
CID 65343271
4-amino-3-(2-ethoxyethylamino)-N-ethylbenzamide
CID 55190007
4-amino-N-ethyl-3-[(2-ethyl-4-hydroxybutyl)amino]benzenesulfonamide
CID 82902466
4-amino-N-ethyl-3-(thiophen-2-ylmethylamino)benzenesulfonamide
CID 82899224

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-ethoxyethylamino)-N-ethylbenzenesulfonamide?
The IUPAC name of 4-amino-3-(2-ethoxyethylamino)-N-ethylbenzenesulfonamide (CID 82898095) is 4-amino-3-(2-ethoxyethylamino)-N-ethylbenzenesulfonamide.
What is the SMILES notation for 4-amino-3-(2-ethoxyethylamino)-N-ethylbenzenesulfonamide?
The canonical SMILES for 4-amino-3-(2-ethoxyethylamino)-N-ethylbenzenesulfonamide is CCNS(=O)(=O)c1ccc(N)c(NCCOCC)c1.
What is the InChIKey of 4-amino-3-(2-ethoxyethylamino)-N-ethylbenzenesulfonamide?
The InChIKey is NCVBRLSXBSKCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-3-15-19(16,17)10-5-6-11(13)12(9-10)14-7-8-18-4-2/h5-6,9,14-15H,3-4,7-8,13H2,1-2H3.
What are the key properties of 4-amino-3-(2-ethoxyethylamino)-N-ethylbenzenesulfonamide?
4-amino-3-(2-ethoxyethylamino)-N-ethylbenzenesulfonamide has a molecular weight of 287.39 g/mol, XLogP of 1.02, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-ethoxyethylamino)-N-ethylbenzenesulfonamide is sourced from PubChem (CID 82898095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).