2-(3-aminophenoxy)-N-(thiadiazol-5-yl)ethanesulfonamide

C10H12N4O3S2 — CID 114911711

IUPAC2-(3-aminophenoxy)-N-(thiadiazol-5-yl)ethanesulfonamide
SMILESNc1cccc(OCCS(=O)(=O)Nc2cnns2)c1
InChIInChI=1S/C10H12N4O3S2/c11-8-2-1-3-9(6-8)17-4-5-19(15,16)13-10-7-12-14-18-10/h1-3,6-7,13H,4-5,11H2
InChIKeyMEPMMRTZVNMDCZ-UHFFFAOYSA-N
MW300.37 g/mol
LogP0.94
Rot. Bonds6

About 2-(3-aminophenoxy)-N-(thiadiazol-5-yl)ethanesulfonamide

2-(3-aminophenoxy)-N-(thiadiazol-5-yl)ethanesulfonamide (PubChem CID 114911711) has the molecular formula C10H12N4O3S2 and a molecular weight of 300.37 g/mol. Its IUPAC name is 2-(3-aminophenoxy)-N-(thiadiazol-5-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-(3-aminophenoxy)-N-(thiadiazol-5-yl)ethanesulfonamide
PubChem CID114911711
Molecular FormulaC10H12N4O3S2
Molecular Weight300.37 g/mol
Exact Mass300.04
IUPAC Name2-(3-aminophenoxy)-N-(thiadiazol-5-yl)ethanesulfonamide
SMILESNc1cccc(OCCS(=O)(=O)Nc2cnns2)c1
InChIInChI=1S/C10H12N4O3S2/c11-8-2-1-3-9(6-8)17-4-5-19(15,16)13-10-7-12-14-18-10/h1-3,6-7,13H,4-5,11H2
InChIKeyMEPMMRTZVNMDCZ-UHFFFAOYSA-N
XLogP0.94
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-(3-aminophenoxy)-N-(thiadiazol-5-yl)ethanesulfonamide 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-(3-aminophenoxy)-N-(1,3-dihydroxypropan-2-yl)ethanesulfonamide
CID 65310670
2-(3-aminophenoxy)-N-but-3-enylethanesulfonamide
CID 113465308
3-[2-(2-methylsulfonylethylsulfonyl)ethoxy]aniline
CID 63658125
2-(3-aminophenoxy)-N-(5-oxopyrrolidin-3-yl)ethanesulfonamide
CID 106180836
2-(3-aminophenoxy)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide
CID 106379250
2-[2-(3-aminophenoxy)ethylsulfonyl]acetamide
CID 82182921
1-[2-(3-aminophenoxy)ethylsulfonyl]propan-2-one
CID 82182930
2-(3-aminophenoxy)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)ethanesulfonamide
CID 106153272
2-(3-aminophenoxy)-N-[(2-methylcyclopentyl)methyl]ethanesulfonamide
CID 107416406
N-[2-(3-aminophenoxy)ethyl]-3,3-dimethylbutane-1-sulfonamide
CID 103520856
2-(3-aminophenoxy)-N-[(3-hydroxyoxolan-3-yl)methyl]ethanesulfonamide
CID 106099193
4-[2-(3-aminophenoxy)ethylsulfonyl]piperazine-2,6-dione
CID 66085634

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenoxy)-N-(thiadiazol-5-yl)ethanesulfonamide?
The IUPAC name of 2-(3-aminophenoxy)-N-(thiadiazol-5-yl)ethanesulfonamide (CID 114911711) is 2-(3-aminophenoxy)-N-(thiadiazol-5-yl)ethanesulfonamide.
What is the SMILES notation for 2-(3-aminophenoxy)-N-(thiadiazol-5-yl)ethanesulfonamide?
The canonical SMILES for 2-(3-aminophenoxy)-N-(thiadiazol-5-yl)ethanesulfonamide is Nc1cccc(OCCS(=O)(=O)Nc2cnns2)c1.
What is the InChIKey of 2-(3-aminophenoxy)-N-(thiadiazol-5-yl)ethanesulfonamide?
The InChIKey is MEPMMRTZVNMDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3S2/c11-8-2-1-3-9(6-8)17-4-5-19(15,16)13-10-7-12-14-18-10/h1-3,6-7,13H,4-5,11H2.
What are the key properties of 2-(3-aminophenoxy)-N-(thiadiazol-5-yl)ethanesulfonamide?
2-(3-aminophenoxy)-N-(thiadiazol-5-yl)ethanesulfonamide has a molecular weight of 300.37 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenoxy)-N-(thiadiazol-5-yl)ethanesulfonamide is sourced from PubChem (CID 114911711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).