3-amino-5-[methyl(2-phenylethyl)amino]benzenesulfonamide

C15H19N3O2S — CID 65483125

IUPAC3-amino-5-[methyl(2-phenylethyl)amino]benzenesulfonamide
SMILESCN(CCc1ccccc1)c1cc(N)cc(S(N)(=O)=O)c1
InChIInChI=1S/C15H19N3O2S/c1-18(8-7-12-5-3-2-4-6-12)14-9-13(16)10-15(11-14)21(17,19)20/h2-6,9-11H,7-8,16H2,1H3,(H2,17,19,20)
InChIKeyALABNOKXZYWHDH-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.60
Rot. Bonds5

About 3-amino-5-[methyl(2-phenylethyl)amino]benzenesulfonamide

3-amino-5-[methyl(2-phenylethyl)amino]benzenesulfonamide (PubChem CID 65483125) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-amino-5-[methyl(2-phenylethyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-[methyl(2-phenylethyl)amino]benzenesulfonamide
PubChem CID65483125
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name3-amino-5-[methyl(2-phenylethyl)amino]benzenesulfonamide
SMILESCN(CCc1ccccc1)c1cc(N)cc(S(N)(=O)=O)c1
InChIInChI=1S/C15H19N3O2S/c1-18(8-7-12-5-3-2-4-6-12)14-9-13(16)10-15(11-14)21(17,19)20/h2-6,9-11H,7-8,16H2,1H3,(H2,17,19,20)
InChIKeyALABNOKXZYWHDH-UHFFFAOYSA-N
XLogP1.60
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-5-[methyl(2-phenylethyl)amino]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 3-amino-5-[methyl(2-phenylethyl)amino]benzenesulfonamide?
The IUPAC name of 3-amino-5-[methyl(2-phenylethyl)amino]benzenesulfonamide (CID 65483125) is 3-amino-5-[methyl(2-phenylethyl)amino]benzenesulfonamide.
What is the SMILES notation for 3-amino-5-[methyl(2-phenylethyl)amino]benzenesulfonamide?
The canonical SMILES for 3-amino-5-[methyl(2-phenylethyl)amino]benzenesulfonamide is CN(CCc1ccccc1)c1cc(N)cc(S(N)(=O)=O)c1.
What is the InChIKey of 3-amino-5-[methyl(2-phenylethyl)amino]benzenesulfonamide?
The InChIKey is ALABNOKXZYWHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-18(8-7-12-5-3-2-4-6-12)14-9-13(16)10-15(11-14)21(17,19)20/h2-6,9-11H,7-8,16H2,1H3,(H2,17,19,20).
What are the key properties of 3-amino-5-[methyl(2-phenylethyl)amino]benzenesulfonamide?
3-amino-5-[methyl(2-phenylethyl)amino]benzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[methyl(2-phenylethyl)amino]benzenesulfonamide is sourced from PubChem (CID 65483125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).