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

C13H24ClN3O3S — CID 3046699

IUPAC4-amino-N-[2-(diethylamino)ethyl]-2-methoxybenzenesulfonamide;hydrochloride
SMILESCCN(CC)CCNS(=O)(=O)c1ccc(N)cc1OC.Cl
InChIInChI=1S/C13H23N3O3S.ClH/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;1H
InChIKeyPHCAWSBVYNSZFQ-UHFFFAOYSA-N
MW337.87 g/mol
LogP1.32
Rot. Bonds8

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

4-amino-N-[2-(diethylamino)ethyl]-2-methoxybenzenesulfonamide;hydrochloride (PubChem CID 3046699) has the molecular formula C13H24ClN3O3S and a molecular weight of 337.87 g/mol. Its IUPAC name is 4-amino-N-[2-(diethylamino)ethyl]-2-methoxybenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-(diethylamino)ethyl]-2-methoxybenzenesulfonamide;hydrochloride
PubChem CID3046699
Molecular FormulaC13H24ClN3O3S
Molecular Weight337.87 g/mol
Exact Mass337.12
IUPAC Name4-amino-N-[2-(diethylamino)ethyl]-2-methoxybenzenesulfonamide;hydrochloride
SMILESCCN(CC)CCNS(=O)(=O)c1ccc(N)cc1OC.Cl
InChIInChI=1S/C13H23N3O3S.ClH/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;1H
InChIKeyPHCAWSBVYNSZFQ-UHFFFAOYSA-N
XLogP1.32
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.87
LogP ≤ 51.32
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;hydrochloride?
The IUPAC name of 4-amino-N-[2-(diethylamino)ethyl]-2-methoxybenzenesulfonamide;hydrochloride (CID 3046699) is 4-amino-N-[2-(diethylamino)ethyl]-2-methoxybenzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[2-(diethylamino)ethyl]-2-methoxybenzenesulfonamide;hydrochloride?
The canonical SMILES for 4-amino-N-[2-(diethylamino)ethyl]-2-methoxybenzenesulfonamide;hydrochloride is CCN(CC)CCNS(=O)(=O)c1ccc(N)cc1OC.Cl.
What is the InChIKey of 4-amino-N-[2-(diethylamino)ethyl]-2-methoxybenzenesulfonamide;hydrochloride?
The InChIKey is PHCAWSBVYNSZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S.ClH/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;1H.
What are the key properties of 4-amino-N-[2-(diethylamino)ethyl]-2-methoxybenzenesulfonamide;hydrochloride?
4-amino-N-[2-(diethylamino)ethyl]-2-methoxybenzenesulfonamide;hydrochloride has a molecular weight of 337.87 g/mol, XLogP of 1.32, 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;hydrochloride is sourced from PubChem (CID 3046699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).