5-amino-N-(2-hydroxy-1-phenylethyl)-1H-pyrazole-4-sulfonamide

C11H14N4O3S — CID 55160188

IUPAC5-amino-N-(2-hydroxy-1-phenylethyl)-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)NC(CO)c1ccccc1
InChIInChI=1S/C11H14N4O3S/c12-11-10(6-13-14-11)19(17,18)15-9(7-16)8-4-2-1-3-5-8/h1-6,9,15-16H,7H2,(H3,12,13,14)
InChIKeyHMHDCJVSORHELU-UHFFFAOYSA-N
MW282.32 g/mol
LogP0.00
Rot. Bonds5

About 5-amino-N-(2-hydroxy-1-phenylethyl)-1H-pyrazole-4-sulfonamide

5-amino-N-(2-hydroxy-1-phenylethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 55160188) has the molecular formula C11H14N4O3S and a molecular weight of 282.32 g/mol. Its IUPAC name is 5-amino-N-(2-hydroxy-1-phenylethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(2-hydroxy-1-phenylethyl)-1H-pyrazole-4-sulfonamide
PubChem CID55160188
Molecular FormulaC11H14N4O3S
Molecular Weight282.32 g/mol
Exact Mass282.08
IUPAC Name5-amino-N-(2-hydroxy-1-phenylethyl)-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)NC(CO)c1ccccc1
InChIInChI=1S/C11H14N4O3S/c12-11-10(6-13-14-11)19(17,18)15-9(7-16)8-4-2-1-3-5-8/h1-6,9,15-16H,7H2,(H3,12,13,14)
InChIKeyHMHDCJVSORHELU-UHFFFAOYSA-N
XLogP0.00
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 50.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide
CID 63182594
2-amino-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-3-sulfonamide
CID 107862017
N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-5-sulfonamide
CID 107863427
2-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methylbenzenesulfonamide
CID 107861957
4-amino-2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 107861980
2-amino-5-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 107861982
2-amino-5-bromo-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 107861996
2-amino-5-bromo-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide
CID 63182474
2,3-dichloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103837084
5-amino-N-phenyl-1H-pyrazole-4-sulfonamide
CID 60812703
methyl 2-[(2-hydroxy-1-phenylethyl)sulfamoyl]benzoate
CID 3447772
5-amino-N-propan-2-yl-1H-pyrazole-4-sulfonamide
CID 60814185

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-hydroxy-1-phenylethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(2-hydroxy-1-phenylethyl)-1H-pyrazole-4-sulfonamide (CID 55160188) is 5-amino-N-(2-hydroxy-1-phenylethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(2-hydroxy-1-phenylethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(2-hydroxy-1-phenylethyl)-1H-pyrazole-4-sulfonamide is Nc1[nH]ncc1S(=O)(=O)NC(CO)c1ccccc1.
What is the InChIKey of 5-amino-N-(2-hydroxy-1-phenylethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is HMHDCJVSORHELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S/c12-11-10(6-13-14-11)19(17,18)15-9(7-16)8-4-2-1-3-5-8/h1-6,9,15-16H,7H2,(H3,12,13,14).
What are the key properties of 5-amino-N-(2-hydroxy-1-phenylethyl)-1H-pyrazole-4-sulfonamide?
5-amino-N-(2-hydroxy-1-phenylethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 282.32 g/mol, XLogP of 0.00, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-hydroxy-1-phenylethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 55160188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).