N-[2-(2-aminophenoxy)ethyl]-1H-pyrazole-4-sulfonamide

C11H14N4O3S — CID 54915290

IUPACN-[2-(2-aminophenoxy)ethyl]-1H-pyrazole-4-sulfonamide
SMILESNc1ccccc1OCCNS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C11H14N4O3S/c12-10-3-1-2-4-11(10)18-6-5-15-19(16,17)9-7-13-14-8-9/h1-4,7-8,15H,5-6,12H2,(H,13,14)
InChIKeyQNDBDSXASVQISB-UHFFFAOYSA-N
MW282.32 g/mol
LogP0.35
Rot. Bonds6

About N-[2-(2-aminophenoxy)ethyl]-1H-pyrazole-4-sulfonamide

N-[2-(2-aminophenoxy)ethyl]-1H-pyrazole-4-sulfonamide (PubChem CID 54915290) has the molecular formula C11H14N4O3S and a molecular weight of 282.32 g/mol. Its IUPAC name is N-[2-(2-aminophenoxy)ethyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-aminophenoxy)ethyl]-1H-pyrazole-4-sulfonamide
PubChem CID54915290
Molecular FormulaC11H14N4O3S
Molecular Weight282.32 g/mol
Exact Mass282.08
IUPAC NameN-[2-(2-aminophenoxy)ethyl]-1H-pyrazole-4-sulfonamide
SMILESNc1ccccc1OCCNS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C11H14N4O3S/c12-10-3-1-2-4-11(10)18-6-5-15-19(16,17)9-7-13-14-8-9/h1-4,7-8,15H,5-6,12H2,(H,13,14)
InChIKeyQNDBDSXASVQISB-UHFFFAOYSA-N
XLogP0.35
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 50.35
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'}

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Related Compounds

1-amino-2-[2-(sulfamoylamino)ethoxy]benzene
CID 114958698
N-[2-(furan-2-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 61026875
N-[2-(2-methoxyethoxy)ethyl]-1H-pyrazole-4-sulfonamide
CID 47959278
N-(3-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide
CID 47292229
1-amino-2-[2-(dimethylsulfamoylamino)ethoxy]benzene
CID 39360375
N-[2-(2-aminophenoxy)ethyl]-1-methylsulfonylmethanesulfonamide
CID 82840011
N-(2-methylsulfanylethyl)-1H-pyrazole-4-sulfonamide
CID 60916750
N-[2-(2-aminophenoxy)ethyl]-2-methoxyethanesulfonamide
CID 55009592
2-(2-aminophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanesulfonamide
CID 106208370
N-[(2-chlorophenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 54934551
N-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 54903977
N-(2-piperidin-4-yloxyethyl)-1H-pyrazole-4-sulfonamide
CID 63871314

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminophenoxy)ethyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[2-(2-aminophenoxy)ethyl]-1H-pyrazole-4-sulfonamide (CID 54915290) is N-[2-(2-aminophenoxy)ethyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(2-aminophenoxy)ethyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(2-aminophenoxy)ethyl]-1H-pyrazole-4-sulfonamide is Nc1ccccc1OCCNS(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-[2-(2-aminophenoxy)ethyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is QNDBDSXASVQISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S/c12-10-3-1-2-4-11(10)18-6-5-15-19(16,17)9-7-13-14-8-9/h1-4,7-8,15H,5-6,12H2,(H,13,14).
What are the key properties of N-[2-(2-aminophenoxy)ethyl]-1H-pyrazole-4-sulfonamide?
N-[2-(2-aminophenoxy)ethyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 282.32 g/mol, XLogP of 0.35, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminophenoxy)ethyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54915290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).