2-amino-3-(2,5-dimethylpyrazol-3-yl)oxybenzenesulfonamide

C11H14N4O3S — CID 112675141

IUPAC2-amino-3-(2,5-dimethylpyrazol-3-yl)oxybenzenesulfonamide
SMILESCc1cc(Oc2cccc(S(N)(=O)=O)c2N)n(C)n1
InChIInChI=1S/C11H14N4O3S/c1-7-6-10(15(2)14-7)18-8-4-3-5-9(11(8)12)19(13,16)17/h3-6H,12H2,1-2H3,(H2,13,16,17)
InChIKeyXMCXUUIZBFEMRW-UHFFFAOYSA-N
MW282.33 g/mol
LogP0.75
Rot. Bonds3

About 2-amino-3-(2,5-dimethylpyrazol-3-yl)oxybenzenesulfonamide

2-amino-3-(2,5-dimethylpyrazol-3-yl)oxybenzenesulfonamide (PubChem CID 112675141) has the molecular formula C11H14N4O3S and a molecular weight of 282.33 g/mol. Its IUPAC name is 2-amino-3-(2,5-dimethylpyrazol-3-yl)oxybenzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-(2,5-dimethylpyrazol-3-yl)oxybenzenesulfonamide
PubChem CID112675141
Molecular FormulaC11H14N4O3S
Molecular Weight282.33 g/mol
Exact Mass282.08
IUPAC Name2-amino-3-(2,5-dimethylpyrazol-3-yl)oxybenzenesulfonamide
SMILESCc1cc(Oc2cccc(S(N)(=O)=O)c2N)n(C)n1
InChIInChI=1S/C11H14N4O3S/c1-7-6-10(15(2)14-7)18-8-4-3-5-9(11(8)12)19(13,16)17/h3-6H,12H2,1-2H3,(H2,13,16,17)
InChIKeyXMCXUUIZBFEMRW-UHFFFAOYSA-N
XLogP0.75
TPSA113.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,5-dimethylpyrazol-3-yl)oxybenzenesulfonamide?
The IUPAC name of 2-amino-3-(2,5-dimethylpyrazol-3-yl)oxybenzenesulfonamide (CID 112675141) is 2-amino-3-(2,5-dimethylpyrazol-3-yl)oxybenzenesulfonamide.
What is the SMILES notation for 2-amino-3-(2,5-dimethylpyrazol-3-yl)oxybenzenesulfonamide?
The canonical SMILES for 2-amino-3-(2,5-dimethylpyrazol-3-yl)oxybenzenesulfonamide is Cc1cc(Oc2cccc(S(N)(=O)=O)c2N)n(C)n1.
What is the InChIKey of 2-amino-3-(2,5-dimethylpyrazol-3-yl)oxybenzenesulfonamide?
The InChIKey is XMCXUUIZBFEMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S/c1-7-6-10(15(2)14-7)18-8-4-3-5-9(11(8)12)19(13,16)17/h3-6H,12H2,1-2H3,(H2,13,16,17).
What are the key properties of 2-amino-3-(2,5-dimethylpyrazol-3-yl)oxybenzenesulfonamide?
2-amino-3-(2,5-dimethylpyrazol-3-yl)oxybenzenesulfonamide has a molecular weight of 282.33 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,5-dimethylpyrazol-3-yl)oxybenzenesulfonamide is sourced from PubChem (CID 112675141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).