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

C16H15N3O3S — CID 10471772

IUPAC4-[3-(hydroxymethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(CO)cc2-c2ccccc2)cc1
InChIInChI=1S/C16H15N3O3S/c17-23(21,22)15-8-6-14(7-9-15)19-16(10-13(11-20)18-19)12-4-2-1-3-5-12/h1-10,20H,11H2,(H2,17,21,22)
InChIKeyFTOOYJLGHAFKNY-UHFFFAOYSA-N
MW329.38 g/mol
LogP1.68
Rot. Bonds4

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

4-[3-(hydroxymethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide (PubChem CID 10471772) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is 4-[3-(hydroxymethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(hydroxymethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide
PubChem CID10471772
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name4-[3-(hydroxymethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(CO)cc2-c2ccccc2)cc1
InChIInChI=1S/C16H15N3O3S/c17-23(21,22)15-8-6-14(7-9-15)19-16(10-13(11-20)18-19)12-4-2-1-3-5-12/h1-10,20H,11H2,(H2,17,21,22)
InChIKeyFTOOYJLGHAFKNY-UHFFFAOYSA-N
XLogP1.68
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(hydroxymethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(hydroxymethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide (CID 10471772) is 4-[3-(hydroxymethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(hydroxymethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(hydroxymethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nc(CO)cc2-c2ccccc2)cc1.
What is the InChIKey of 4-[3-(hydroxymethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide?
The InChIKey is FTOOYJLGHAFKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c17-23(21,22)15-8-6-14(7-9-15)19-16(10-13(11-20)18-19)12-4-2-1-3-5-12/h1-10,20H,11H2,(H2,17,21,22).
What are the key properties of 4-[3-(hydroxymethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide?
4-[3-(hydroxymethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide has a molecular weight of 329.38 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(hydroxymethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 10471772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).