1-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]propane-2-sulfonamide

C8H15N3O3S — CID 106218352

IUPAC1-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]propane-2-sulfonamide
SMILESCC(NS(=O)(=O)C(C)CO)c1cn[nH]c1
InChIInChI=1S/C8H15N3O3S/c1-6(5-12)15(13,14)11-7(2)8-3-9-10-4-8/h3-4,6-7,11-12H,5H2,1-2H3,(H,9,10)
InChIKeyCHYHALYEMBHYFQ-UHFFFAOYSA-N
MW233.29 g/mol
LogP-0.23
Rot. Bonds5

About 1-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]propane-2-sulfonamide

1-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]propane-2-sulfonamide (PubChem CID 106218352) has the molecular formula C8H15N3O3S and a molecular weight of 233.29 g/mol. Its IUPAC name is 1-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]propane-2-sulfonamide.

Molecular Properties

Compound Name1-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]propane-2-sulfonamide
PubChem CID106218352
Molecular FormulaC8H15N3O3S
Molecular Weight233.29 g/mol
Exact Mass233.08
IUPAC Name1-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]propane-2-sulfonamide
SMILESCC(NS(=O)(=O)C(C)CO)c1cn[nH]c1
InChIInChI=1S/C8H15N3O3S/c1-6(5-12)15(13,14)11-7(2)8-3-9-10-4-8/h3-4,6-7,11-12H,5H2,1-2H3,(H,9,10)
InChIKeyCHYHALYEMBHYFQ-UHFFFAOYSA-N
XLogP-0.23
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1,1,1-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]methanesulfonamide
CID 106217693
1-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]methanesulfonamide
CID 106216702
3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]butane-1-sulfonamide
CID 103854160
2-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanesulfonamide
CID 106215347
5-(hydroxymethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-sulfonamide
CID 106218370
4-[1-[[butyl(methyl)sulfamoyl]amino]ethyl]-1H-pyrazole
CID 113339062
5-(2-hydroxyethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 106218355
4-butan-2-yl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 103854220
5-(ethylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-sulfonamide
CID 106218501
2-(3-hydroxyprop-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 106217870
5-(3-hydroxyprop-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-sulfonamide
CID 106217869
2-(2-aminophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanesulfonamide
CID 106208370

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]propane-2-sulfonamide?
The IUPAC name of 1-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]propane-2-sulfonamide (CID 106218352) is 1-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]propane-2-sulfonamide.
What is the SMILES notation for 1-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]propane-2-sulfonamide?
The canonical SMILES for 1-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]propane-2-sulfonamide is CC(NS(=O)(=O)C(C)CO)c1cn[nH]c1.
What is the InChIKey of 1-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]propane-2-sulfonamide?
The InChIKey is CHYHALYEMBHYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3S/c1-6(5-12)15(13,14)11-7(2)8-3-9-10-4-8/h3-4,6-7,11-12H,5H2,1-2H3,(H,9,10).
What are the key properties of 1-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]propane-2-sulfonamide?
1-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]propane-2-sulfonamide has a molecular weight of 233.29 g/mol, XLogP of -0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]propane-2-sulfonamide is sourced from PubChem (CID 106218352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).