N-(1-ethylpyrazol-4-yl)-2-hydroxyethanesulfonamide

C7H13N3O3S — CID 79026430

IUPACN-(1-ethylpyrazol-4-yl)-2-hydroxyethanesulfonamide
SMILESCCn1cc(NS(=O)(=O)CCO)cn1
InChIInChI=1S/C7H13N3O3S/c1-2-10-6-7(5-8-10)9-14(12,13)4-3-11/h5-6,9,11H,2-4H2,1H3
InChIKeyXOIFKLNCBZUTIS-UHFFFAOYSA-N
MW219.27 g/mol
LogP-0.36
Rot. Bonds5

About N-(1-ethylpyrazol-4-yl)-2-hydroxyethanesulfonamide

N-(1-ethylpyrazol-4-yl)-2-hydroxyethanesulfonamide (PubChem CID 79026430) has the molecular formula C7H13N3O3S and a molecular weight of 219.27 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)-2-hydroxyethanesulfonamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)-2-hydroxyethanesulfonamide
PubChem CID79026430
Molecular FormulaC7H13N3O3S
Molecular Weight219.27 g/mol
Exact Mass219.07
IUPAC NameN-(1-ethylpyrazol-4-yl)-2-hydroxyethanesulfonamide
SMILESCCn1cc(NS(=O)(=O)CCO)cn1
InChIInChI=1S/C7H13N3O3S/c1-2-10-6-7(5-8-10)9-14(12,13)4-3-11/h5-6,9,11H,2-4H2,1H3
InChIKeyXOIFKLNCBZUTIS-UHFFFAOYSA-N
XLogP-0.36
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-4-yl)-2-hydroxyethanesulfonamide?
The IUPAC name of N-(1-ethylpyrazol-4-yl)-2-hydroxyethanesulfonamide (CID 79026430) is N-(1-ethylpyrazol-4-yl)-2-hydroxyethanesulfonamide.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)-2-hydroxyethanesulfonamide?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)-2-hydroxyethanesulfonamide is CCn1cc(NS(=O)(=O)CCO)cn1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)-2-hydroxyethanesulfonamide?
The InChIKey is XOIFKLNCBZUTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O3S/c1-2-10-6-7(5-8-10)9-14(12,13)4-3-11/h5-6,9,11H,2-4H2,1H3.
What are the key properties of N-(1-ethylpyrazol-4-yl)-2-hydroxyethanesulfonamide?
N-(1-ethylpyrazol-4-yl)-2-hydroxyethanesulfonamide has a molecular weight of 219.27 g/mol, XLogP of -0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-4-yl)-2-hydroxyethanesulfonamide is sourced from PubChem (CID 79026430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).