3,4-diamino-N,N-diethylbenzenesulfonamide

C10H17N3O2S — CID 3845850

IUPAC3,4-diamino-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N)c(N)c1
InChIInChI=1S/C10H17N3O2S/c1-3-13(4-2)16(14,15)8-5-6-9(11)10(12)7-8/h5-7H,3-4,11-12H2,1-2H3
InChIKeyAMLGOCJQWVBKMR-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.88
Rot. Bonds4

About 3,4-diamino-N,N-diethylbenzenesulfonamide

3,4-diamino-N,N-diethylbenzenesulfonamide (PubChem CID 3845850) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 3,4-diamino-N,N-diethylbenzenesulfonamide.

Molecular Properties

Compound Name3,4-diamino-N,N-diethylbenzenesulfonamide
PubChem CID3845850
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name3,4-diamino-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N)c(N)c1
InChIInChI=1S/C10H17N3O2S/c1-3-13(4-2)16(14,15)8-5-6-9(11)10(12)7-8/h5-7H,3-4,11-12H2,1-2H3
InChIKeyAMLGOCJQWVBKMR-UHFFFAOYSA-N
XLogP0.88
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,4-diamino-N,N-diethylbenzenesulfonamide 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 3,4-diamino-N,N-diethylbenzenesulfonamide?
The IUPAC name of 3,4-diamino-N,N-diethylbenzenesulfonamide (CID 3845850) is 3,4-diamino-N,N-diethylbenzenesulfonamide.
What is the SMILES notation for 3,4-diamino-N,N-diethylbenzenesulfonamide?
The canonical SMILES for 3,4-diamino-N,N-diethylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(N)c(N)c1.
What is the InChIKey of 3,4-diamino-N,N-diethylbenzenesulfonamide?
The InChIKey is AMLGOCJQWVBKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-3-13(4-2)16(14,15)8-5-6-9(11)10(12)7-8/h5-7H,3-4,11-12H2,1-2H3.
What are the key properties of 3,4-diamino-N,N-diethylbenzenesulfonamide?
3,4-diamino-N,N-diethylbenzenesulfonamide has a molecular weight of 243.33 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diamino-N,N-diethylbenzenesulfonamide is sourced from PubChem (CID 3845850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).