2-hydroxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)ethanesulfonamide

C7H13N3O3S — CID 79578513

IUPAC2-hydroxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)ethanesulfonamide
SMILESCN(Cc1cn[nH]c1)S(=O)(=O)CCO
InChIInChI=1S/C7H13N3O3S/c1-10(14(12,13)3-2-11)6-7-4-8-9-5-7/h4-5,11H,2-3,6H2,1H3,(H,8,9)
InChIKeyCZQGNYZIQCIPSK-UHFFFAOYSA-N
MW219.27 g/mol
LogP-0.84
Rot. Bonds5

About 2-hydroxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)ethanesulfonamide

2-hydroxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)ethanesulfonamide (PubChem CID 79578513) has the molecular formula C7H13N3O3S and a molecular weight of 219.27 g/mol. Its IUPAC name is 2-hydroxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)ethanesulfonamide.

Molecular Properties

Compound Name2-hydroxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)ethanesulfonamide
PubChem CID79578513
Molecular FormulaC7H13N3O3S
Molecular Weight219.27 g/mol
Exact Mass219.07
IUPAC Name2-hydroxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)ethanesulfonamide
SMILESCN(Cc1cn[nH]c1)S(=O)(=O)CCO
InChIInChI=1S/C7H13N3O3S/c1-10(14(12,13)3-2-11)6-7-4-8-9-5-7/h4-5,11H,2-3,6H2,1H3,(H,8,9)
InChIKeyCZQGNYZIQCIPSK-UHFFFAOYSA-N
XLogP-0.84
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)ethanesulfonamide?
The IUPAC name of 2-hydroxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)ethanesulfonamide (CID 79578513) is 2-hydroxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)ethanesulfonamide.
What is the SMILES notation for 2-hydroxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)ethanesulfonamide?
The canonical SMILES for 2-hydroxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)ethanesulfonamide is CN(Cc1cn[nH]c1)S(=O)(=O)CCO.
What is the InChIKey of 2-hydroxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)ethanesulfonamide?
The InChIKey is CZQGNYZIQCIPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O3S/c1-10(14(12,13)3-2-11)6-7-4-8-9-5-7/h4-5,11H,2-3,6H2,1H3,(H,8,9).
What are the key properties of 2-hydroxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)ethanesulfonamide?
2-hydroxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)ethanesulfonamide has a molecular weight of 219.27 g/mol, XLogP of -0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)ethanesulfonamide is sourced from PubChem (CID 79578513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).