4-[3-(2-hydroxyethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide

C17H17N3O3S — CID 71578813

IUPAC4-[3-(2-hydroxyethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(CCO)cc2-c2ccccc2)cc1
InChIInChI=1S/C17H17N3O3S/c18-24(22,23)16-8-6-15(7-9-16)20-17(12-14(19-20)10-11-21)13-4-2-1-3-5-13/h1-9,12,21H,10-11H2,(H2,18,22,23)
InChIKeyYAWVSOOWMFJKGZ-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.72
Rot. Bonds5

About 4-[3-(2-hydroxyethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide

4-[3-(2-hydroxyethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide (PubChem CID 71578813) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 4-[3-(2-hydroxyethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(2-hydroxyethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide
PubChem CID71578813
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name4-[3-(2-hydroxyethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(CCO)cc2-c2ccccc2)cc1
InChIInChI=1S/C17H17N3O3S/c18-24(22,23)16-8-6-15(7-9-16)20-17(12-14(19-20)10-11-21)13-4-2-1-3-5-13/h1-9,12,21H,10-11H2,(H2,18,22,23)
InChIKeyYAWVSOOWMFJKGZ-UHFFFAOYSA-N
XLogP1.72
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-hydroxyethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(2-hydroxyethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide (CID 71578813) is 4-[3-(2-hydroxyethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(2-hydroxyethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(2-hydroxyethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nc(CCO)cc2-c2ccccc2)cc1.
What is the InChIKey of 4-[3-(2-hydroxyethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide?
The InChIKey is YAWVSOOWMFJKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c18-24(22,23)16-8-6-15(7-9-16)20-17(12-14(19-20)10-11-21)13-4-2-1-3-5-13/h1-9,12,21H,10-11H2,(H2,18,22,23).
What are the key properties of 4-[3-(2-hydroxyethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide?
4-[3-(2-hydroxyethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide has a molecular weight of 343.41 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-hydroxyethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 71578813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).