3-amino-4-(2-ethoxyethylamino)benzenesulfonamide

C10H17N3O3S — CID 43591103

IUPAC3-amino-4-(2-ethoxyethylamino)benzenesulfonamide
SMILESCCOCCNc1ccc(S(N)(=O)=O)cc1N
InChIInChI=1S/C10H17N3O3S/c1-2-16-6-5-13-10-4-3-8(7-9(10)11)17(12,14)15/h3-4,7,13H,2,5-6,11H2,1H3,(H2,12,14,15)
InChIKeyWNZGZGAYXMHKAD-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.36
Rot. Bonds6

About 3-amino-4-(2-ethoxyethylamino)benzenesulfonamide

3-amino-4-(2-ethoxyethylamino)benzenesulfonamide (PubChem CID 43591103) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 3-amino-4-(2-ethoxyethylamino)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-(2-ethoxyethylamino)benzenesulfonamide
PubChem CID43591103
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name3-amino-4-(2-ethoxyethylamino)benzenesulfonamide
SMILESCCOCCNc1ccc(S(N)(=O)=O)cc1N
InChIInChI=1S/C10H17N3O3S/c1-2-16-6-5-13-10-4-3-8(7-9(10)11)17(12,14)15/h3-4,7,13H,2,5-6,11H2,1H3,(H2,12,14,15)
InChIKeyWNZGZGAYXMHKAD-UHFFFAOYSA-N
XLogP0.36
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.36
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)-3-fluorobenzenesulfonamide
CID 60965986
3-amino-4-[2-(2,2,2-trifluoroethoxy)ethylamino]benzenesulfonamide
CID 63827628
4-(2-ethoxyethylamino)benzenesulfonamide
CID 43591264
4-amino-3-(2-butoxyethylamino)benzenesulfonamide
CID 82908082
3-amino-4-(2-methylbutan-2-ylamino)benzenesulfonamide
CID 43153449
3-amino-4-[3-(methanesulfonamido)propylamino]benzenesulfonamide
CID 106333712
N-[2-(2-amino-4-sulfamoylanilino)ethyl]acetamide
CID 43552749
4-amino-3-(2-ethoxyethylamino)-N-ethylbenzenesulfonamide
CID 82898095
ethyl 3-amino-4-(2-ethoxyethylamino)benzoate
CID 61313836
3-amino-4-(4-methylsulfanylbutylamino)benzenesulfonamide
CID 113487240
3-amino-4-[2-(2-hydroxyethoxy)ethylamino]-N-methylbenzenesulfonamide
CID 62498772
1-N-[2-(2-methylprop-2-enoxy)ethyl]-4-methylsulfonylbenzene-1,2-diamine
CID 114465328

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2-ethoxyethylamino)benzenesulfonamide?
The IUPAC name of 3-amino-4-(2-ethoxyethylamino)benzenesulfonamide (CID 43591103) is 3-amino-4-(2-ethoxyethylamino)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-(2-ethoxyethylamino)benzenesulfonamide?
The canonical SMILES for 3-amino-4-(2-ethoxyethylamino)benzenesulfonamide is CCOCCNc1ccc(S(N)(=O)=O)cc1N.
What is the InChIKey of 3-amino-4-(2-ethoxyethylamino)benzenesulfonamide?
The InChIKey is WNZGZGAYXMHKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-2-16-6-5-13-10-4-3-8(7-9(10)11)17(12,14)15/h3-4,7,13H,2,5-6,11H2,1H3,(H2,12,14,15).
What are the key properties of 3-amino-4-(2-ethoxyethylamino)benzenesulfonamide?
3-amino-4-(2-ethoxyethylamino)benzenesulfonamide has a molecular weight of 259.33 g/mol, XLogP of 0.36, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2-ethoxyethylamino)benzenesulfonamide is sourced from PubChem (CID 43591103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).