2-(1-methylpyrazol-4-yl)oxyethanesulfonamide

C6H11N3O3S — CID 116793899

IUPAC2-(1-methylpyrazol-4-yl)oxyethanesulfonamide
SMILESCn1cc(OCCS(N)(=O)=O)cn1
InChIInChI=1S/C6H11N3O3S/c1-9-5-6(4-8-9)12-2-3-13(7,10)11/h4-5H,2-3H2,1H3,(H2,7,10,11)
InChIKeyJNPYSEBIRGJINM-UHFFFAOYSA-N
MW205.24 g/mol
LogP-0.91
Rot. Bonds4

About 2-(1-methylpyrazol-4-yl)oxyethanesulfonamide

2-(1-methylpyrazol-4-yl)oxyethanesulfonamide (PubChem CID 116793899) has the molecular formula C6H11N3O3S and a molecular weight of 205.24 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)oxyethanesulfonamide.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)oxyethanesulfonamide
PubChem CID116793899
Molecular FormulaC6H11N3O3S
Molecular Weight205.24 g/mol
Exact Mass205.05
IUPAC Name2-(1-methylpyrazol-4-yl)oxyethanesulfonamide
SMILESCn1cc(OCCS(N)(=O)=O)cn1
InChIInChI=1S/C6H11N3O3S/c1-9-5-6(4-8-9)12-2-3-13(7,10)11/h4-5H,2-3H2,1H3,(H2,7,10,11)
InChIKeyJNPYSEBIRGJINM-UHFFFAOYSA-N
XLogP-0.91
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 5-0.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)oxyethanesulfonamide?
The IUPAC name of 2-(1-methylpyrazol-4-yl)oxyethanesulfonamide (CID 116793899) is 2-(1-methylpyrazol-4-yl)oxyethanesulfonamide.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)oxyethanesulfonamide?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)oxyethanesulfonamide is Cn1cc(OCCS(N)(=O)=O)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)oxyethanesulfonamide?
The InChIKey is JNPYSEBIRGJINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O3S/c1-9-5-6(4-8-9)12-2-3-13(7,10)11/h4-5H,2-3H2,1H3,(H2,7,10,11).
What are the key properties of 2-(1-methylpyrazol-4-yl)oxyethanesulfonamide?
2-(1-methylpyrazol-4-yl)oxyethanesulfonamide has a molecular weight of 205.24 g/mol, XLogP of -0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)oxyethanesulfonamide is sourced from PubChem (CID 116793899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).