5-amino-2-(diethylamino)-N-(2-methoxyphenyl)benzenesulfonamide

C17H23N3O3S — CID 3851493

IUPAC5-amino-2-(diethylamino)-N-(2-methoxyphenyl)benzenesulfonamide
SMILESCCN(CC)c1ccc(N)cc1S(=O)(=O)Nc1ccccc1OC
InChIInChI=1S/C17H23N3O3S/c1-4-20(5-2)15-11-10-13(18)12-17(15)24(21,22)19-14-8-6-7-9-16(14)23-3/h6-12,19H,4-5,18H2,1-3H3
InChIKeyVLPUMVGOTYHZSP-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.92
Rot. Bonds7

About 5-amino-2-(diethylamino)-N-(2-methoxyphenyl)benzenesulfonamide

5-amino-2-(diethylamino)-N-(2-methoxyphenyl)benzenesulfonamide (PubChem CID 3851493) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 5-amino-2-(diethylamino)-N-(2-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-(diethylamino)-N-(2-methoxyphenyl)benzenesulfonamide
PubChem CID3851493
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name5-amino-2-(diethylamino)-N-(2-methoxyphenyl)benzenesulfonamide
SMILESCCN(CC)c1ccc(N)cc1S(=O)(=O)Nc1ccccc1OC
InChIInChI=1S/C17H23N3O3S/c1-4-20(5-2)15-11-10-13(18)12-17(15)24(21,22)19-14-8-6-7-9-16(14)23-3/h6-12,19H,4-5,18H2,1-3H3
InChIKeyVLPUMVGOTYHZSP-UHFFFAOYSA-N
XLogP2.92
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-amino-2-(diethylamino)-N-(2-methoxyphenyl)benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(diethylamino)-N-(2-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-(diethylamino)-N-(2-methoxyphenyl)benzenesulfonamide (CID 3851493) is 5-amino-2-(diethylamino)-N-(2-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-(diethylamino)-N-(2-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-(diethylamino)-N-(2-methoxyphenyl)benzenesulfonamide is CCN(CC)c1ccc(N)cc1S(=O)(=O)Nc1ccccc1OC.
What is the InChIKey of 5-amino-2-(diethylamino)-N-(2-methoxyphenyl)benzenesulfonamide?
The InChIKey is VLPUMVGOTYHZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-4-20(5-2)15-11-10-13(18)12-17(15)24(21,22)19-14-8-6-7-9-16(14)23-3/h6-12,19H,4-5,18H2,1-3H3.
What are the key properties of 5-amino-2-(diethylamino)-N-(2-methoxyphenyl)benzenesulfonamide?
5-amino-2-(diethylamino)-N-(2-methoxyphenyl)benzenesulfonamide has a molecular weight of 349.46 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(diethylamino)-N-(2-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 3851493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).