2-amino-4-(2-phenoxyethylamino)benzenesulfonamide

C14H17N3O3S — CID 79466327

IUPAC2-amino-4-(2-phenoxyethylamino)benzenesulfonamide
SMILESNc1cc(NCCOc2ccccc2)ccc1S(N)(=O)=O
InChIInChI=1S/C14H17N3O3S/c15-13-10-11(6-7-14(13)21(16,18)19)17-8-9-20-12-4-2-1-3-5-12/h1-7,10,17H,8-9,15H2,(H2,16,18,19)
InChIKeyYIJDLJCNSVFTJR-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.41
Rot. Bonds6

About 2-amino-4-(2-phenoxyethylamino)benzenesulfonamide

2-amino-4-(2-phenoxyethylamino)benzenesulfonamide (PubChem CID 79466327) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-amino-4-(2-phenoxyethylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-(2-phenoxyethylamino)benzenesulfonamide
PubChem CID79466327
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name2-amino-4-(2-phenoxyethylamino)benzenesulfonamide
SMILESNc1cc(NCCOc2ccccc2)ccc1S(N)(=O)=O
InChIInChI=1S/C14H17N3O3S/c15-13-10-11(6-7-14(13)21(16,18)19)17-8-9-20-12-4-2-1-3-5-12/h1-7,10,17H,8-9,15H2,(H2,16,18,19)
InChIKeyYIJDLJCNSVFTJR-UHFFFAOYSA-N
XLogP1.41
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-4-(2-phenoxyethylamino)benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

4-N-(2-phenoxyethyl)benzene-1,2,4-triamine
CID 106750634
2-amino-4-(2-methoxyethylamino)benzenesulfonamide
CID 79467385
2-amino-4-(2-hydroxyethylamino)benzenesulfonamide
CID 79467584
2-amino-4-(3-phenoxypropylamino)benzoic acid
CID 104500559
2-[2-(3-amino-4-sulfamoylanilino)ethoxy]acetamide
CID 106234450
2-amino-4-[2-(2-methylprop-2-enoxy)ethylamino]benzenesulfonamide
CID 114465302
4-(2-phenoxyethylamino)benzene-1,3-disulfonamide
CID 68803331
2-amino-4-(ethylamino)benzenesulfonamide
CID 79466329
2-amino-4-(2,2,2-trifluoroethylamino)benzenesulfonamide
CID 79467392
2-ethoxy-4-N-(3-phenoxypropyl)benzene-1,4-diamine
CID 63676287
3-chloro-4-fluoro-N-(2-phenoxyethyl)aniline
CID 39365277
2-amino-4-phenylmethoxybenzenesulfonamide
CID 79466915

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-phenoxyethylamino)benzenesulfonamide?
The IUPAC name of 2-amino-4-(2-phenoxyethylamino)benzenesulfonamide (CID 79466327) is 2-amino-4-(2-phenoxyethylamino)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-(2-phenoxyethylamino)benzenesulfonamide?
The canonical SMILES for 2-amino-4-(2-phenoxyethylamino)benzenesulfonamide is Nc1cc(NCCOc2ccccc2)ccc1S(N)(=O)=O.
What is the InChIKey of 2-amino-4-(2-phenoxyethylamino)benzenesulfonamide?
The InChIKey is YIJDLJCNSVFTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c15-13-10-11(6-7-14(13)21(16,18)19)17-8-9-20-12-4-2-1-3-5-12/h1-7,10,17H,8-9,15H2,(H2,16,18,19).
What are the key properties of 2-amino-4-(2-phenoxyethylamino)benzenesulfonamide?
2-amino-4-(2-phenoxyethylamino)benzenesulfonamide has a molecular weight of 307.38 g/mol, XLogP of 1.41, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-phenoxyethylamino)benzenesulfonamide is sourced from PubChem (CID 79466327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).