1-(2-hydroxyethyl)-N-(2-methyloxan-4-yl)pyrazole-4-sulfonamide

C11H19N3O4S — CID 106002630

IUPAC1-(2-hydroxyethyl)-N-(2-methyloxan-4-yl)pyrazole-4-sulfonamide
SMILESCC1CC(NS(=O)(=O)c2cnn(CCO)c2)CCO1
InChIInChI=1S/C11H19N3O4S/c1-9-6-10(2-5-18-9)13-19(16,17)11-7-12-14(8-11)3-4-15/h7-10,13,15H,2-6H2,1H3
InChIKeyBEWMNJOIQPWXNO-UHFFFAOYSA-N
MW289.36 g/mol
LogP-0.28
Rot. Bonds5

About 1-(2-hydroxyethyl)-N-(2-methyloxan-4-yl)pyrazole-4-sulfonamide

1-(2-hydroxyethyl)-N-(2-methyloxan-4-yl)pyrazole-4-sulfonamide (PubChem CID 106002630) has the molecular formula C11H19N3O4S and a molecular weight of 289.36 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-N-(2-methyloxan-4-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-N-(2-methyloxan-4-yl)pyrazole-4-sulfonamide
PubChem CID106002630
Molecular FormulaC11H19N3O4S
Molecular Weight289.36 g/mol
Exact Mass289.11
IUPAC Name1-(2-hydroxyethyl)-N-(2-methyloxan-4-yl)pyrazole-4-sulfonamide
SMILESCC1CC(NS(=O)(=O)c2cnn(CCO)c2)CCO1
InChIInChI=1S/C11H19N3O4S/c1-9-6-10(2-5-18-9)13-19(16,17)11-7-12-14(8-11)3-4-15/h7-10,13,15H,2-6H2,1H3
InChIKeyBEWMNJOIQPWXNO-UHFFFAOYSA-N
XLogP-0.28
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,3-dimethylcyclopentyl)-1-(2-hydroxyethyl)pyrazole-4-sulfonamide
CID 114551690
5-(hydroxymethyl)-N-(2-methyloxan-4-yl)-1-propylpyrrole-3-sulfonamide
CID 106002604
1-[3-(ethylamino)propyl]-N-(oxolan-3-yl)pyrazole-4-sulfonamide
CID 106072292
3-[4-(oxolan-3-ylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 80717554
N-(1-cyclopropylethyl)-1-(2-hydroxyethyl)pyrazole-4-sulfonamide
CID 114133664
2-[4-[(3-methylcyclobutyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 113467121
N-(2-methyloxolan-3-yl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide
CID 106076162
1-(3-aminopropyl)-N-(1-methylpiperidin-4-yl)pyrazole-4-sulfonamide
CID 106025603
N-[(1R,3S)-3-[(1-ethylpyrazol-4-yl)sulfonylamino]cyclopentyl]-4-methylpiperazine-1-sulfonamide
CID 154569315
N-(2,2-dimethyloxan-4-yl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106075167
1-(2-aminoethyl)-N-(1-methylpiperidin-4-yl)pyrazole-4-sulfonamide
CID 106025089
1-(3-aminopropyl)-N-(4,4-dimethylcyclohexyl)pyrazole-4-sulfonamide
CID 106068970

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-N-(2-methyloxan-4-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(2-hydroxyethyl)-N-(2-methyloxan-4-yl)pyrazole-4-sulfonamide (CID 106002630) is 1-(2-hydroxyethyl)-N-(2-methyloxan-4-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2-hydroxyethyl)-N-(2-methyloxan-4-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(2-hydroxyethyl)-N-(2-methyloxan-4-yl)pyrazole-4-sulfonamide is CC1CC(NS(=O)(=O)c2cnn(CCO)c2)CCO1.
What is the InChIKey of 1-(2-hydroxyethyl)-N-(2-methyloxan-4-yl)pyrazole-4-sulfonamide?
The InChIKey is BEWMNJOIQPWXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S/c1-9-6-10(2-5-18-9)13-19(16,17)11-7-12-14(8-11)3-4-15/h7-10,13,15H,2-6H2,1H3.
What are the key properties of 1-(2-hydroxyethyl)-N-(2-methyloxan-4-yl)pyrazole-4-sulfonamide?
1-(2-hydroxyethyl)-N-(2-methyloxan-4-yl)pyrazole-4-sulfonamide has a molecular weight of 289.36 g/mol, XLogP of -0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-N-(2-methyloxan-4-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 106002630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).