4-amino-N-[2-(diethylamino)ethyl]-2-methoxybenzenesulfonamide

C13H23N3O3S — CID 3046700

IUPAC4-amino-N-[2-(diethylamino)ethyl]-2-methoxybenzenesulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1ccc(N)cc1OC
InChIInChI=1S/C13H23N3O3S/c1-4-16(5-2)9-8-15-20(17,18)13-7-6-11(14)10-12(13)19-3/h6-7,10,15H,4-5,8-9,14H2,1-3H3
InChIKeyYEYAKNAPYNKNDJ-UHFFFAOYSA-N
MW301.41 g/mol
LogP0.90
Rot. Bonds8

About 4-amino-N-[2-(diethylamino)ethyl]-2-methoxybenzenesulfonamide

4-amino-N-[2-(diethylamino)ethyl]-2-methoxybenzenesulfonamide (PubChem CID 3046700) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is 4-amino-N-[2-(diethylamino)ethyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[2-(diethylamino)ethyl]-2-methoxybenzenesulfonamide
PubChem CID3046700
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC Name4-amino-N-[2-(diethylamino)ethyl]-2-methoxybenzenesulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1ccc(N)cc1OC
InChIInChI=1S/C13H23N3O3S/c1-4-16(5-2)9-8-15-20(17,18)13-7-6-11(14)10-12(13)19-3/h6-7,10,15H,4-5,8-9,14H2,1-3H3
InChIKeyYEYAKNAPYNKNDJ-UHFFFAOYSA-N
XLogP0.90
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(diethylamino)ethyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 4-amino-N-[2-(diethylamino)ethyl]-2-methoxybenzenesulfonamide (CID 3046700) is 4-amino-N-[2-(diethylamino)ethyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 4-amino-N-[2-(diethylamino)ethyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 4-amino-N-[2-(diethylamino)ethyl]-2-methoxybenzenesulfonamide is CCN(CC)CCNS(=O)(=O)c1ccc(N)cc1OC.
What is the InChIKey of 4-amino-N-[2-(diethylamino)ethyl]-2-methoxybenzenesulfonamide?
The InChIKey is YEYAKNAPYNKNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-4-16(5-2)9-8-15-20(17,18)13-7-6-11(14)10-12(13)19-3/h6-7,10,15H,4-5,8-9,14H2,1-3H3.
What are the key properties of 4-amino-N-[2-(diethylamino)ethyl]-2-methoxybenzenesulfonamide?
4-amino-N-[2-(diethylamino)ethyl]-2-methoxybenzenesulfonamide has a molecular weight of 301.41 g/mol, XLogP of 0.90, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(diethylamino)ethyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 3046700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).