2-amino-N-(2-phenoxyethyl)benzenesulfonamide;hydrochloride

C14H17ClN2O3S — CID 126467495

IUPAC2-amino-N-(2-phenoxyethyl)benzenesulfonamide;hydrochloride
SMILESCl.Nc1ccccc1S(=O)(=O)NCCOc1ccccc1
InChIInChI=1S/C14H16N2O3S.ClH/c15-13-8-4-5-9-14(13)20(17,18)16-10-11-19-12-6-2-1-3-7-12;/h1-9,16H,10-11,15H2;1H
InChIKeyXDOWDVKDBADMIZ-UHFFFAOYSA-N
MW328.82 g/mol
LogP2.05
Rot. Bonds6

About 2-amino-N-(2-phenoxyethyl)benzenesulfonamide;hydrochloride

2-amino-N-(2-phenoxyethyl)benzenesulfonamide;hydrochloride (PubChem CID 126467495) has the molecular formula C14H17ClN2O3S and a molecular weight of 328.82 g/mol. Its IUPAC name is 2-amino-N-(2-phenoxyethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(2-phenoxyethyl)benzenesulfonamide;hydrochloride
PubChem CID126467495
Molecular FormulaC14H17ClN2O3S
Molecular Weight328.82 g/mol
Exact Mass328.06
IUPAC Name2-amino-N-(2-phenoxyethyl)benzenesulfonamide;hydrochloride
SMILESCl.Nc1ccccc1S(=O)(=O)NCCOc1ccccc1
InChIInChI=1S/C14H16N2O3S.ClH/c15-13-8-4-5-9-14(13)20(17,18)16-10-11-19-12-6-2-1-3-7-12;/h1-9,16H,10-11,15H2;1H
InChIKeyXDOWDVKDBADMIZ-UHFFFAOYSA-N
XLogP2.05
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.82
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-N-(2-phenoxyethyl)benzenesulfonamide;hydrochloride 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

2-(aminomethyl)-N-(2-phenoxyethyl)pyridine-3-sulfonamide
CID 106594268
2-nitro-N-(2-phenoxyethyl)benzenesulfonamide
CID 2302768
9,10-dioxo-N-(2-phenoxyethyl)anthracene-1-sulfonamide
CID 3855904
N-(2-phenoxyethyl)quinoline-8-sulfonamide
CID 3776946
2-chloro-N-[2-(4-chlorophenoxy)ethyl]benzenesulfonamide
CID 30171874
2-amino-N-(3-hexoxypropyl)benzenesulfonamide
CID 58720589
2-methyl-3-nitro-N-(2-phenoxyethyl)benzenesulfonamide
CID 35609002
4-fluoro-2-methyl-N-(2-phenoxyethyl)benzenesulfonamide
CID 35609122
2,5-dimethoxy-N-(2-phenoxyethyl)benzenesulfonamide
CID 26943488
2-N-(2-phenoxyethyl)benzene-1,2-diamine
CID 2295787
2-amino-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 63982430
methyl 3-[(2-aminophenyl)sulfonylamino]propanoate
CID 43665938

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-phenoxyethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of 2-amino-N-(2-phenoxyethyl)benzenesulfonamide;hydrochloride (CID 126467495) is 2-amino-N-(2-phenoxyethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(2-phenoxyethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 2-amino-N-(2-phenoxyethyl)benzenesulfonamide;hydrochloride is Cl.Nc1ccccc1S(=O)(=O)NCCOc1ccccc1.
What is the InChIKey of 2-amino-N-(2-phenoxyethyl)benzenesulfonamide;hydrochloride?
The InChIKey is XDOWDVKDBADMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S.ClH/c15-13-8-4-5-9-14(13)20(17,18)16-10-11-19-12-6-2-1-3-7-12;/h1-9,16H,10-11,15H2;1H.
What are the key properties of 2-amino-N-(2-phenoxyethyl)benzenesulfonamide;hydrochloride?
2-amino-N-(2-phenoxyethyl)benzenesulfonamide;hydrochloride has a molecular weight of 328.82 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-phenoxyethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 126467495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).