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

C16H15N3O3S — CID 67662627

IUPAC3-[3-(hydroxymethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-n2nc(CO)cc2-c2ccccc2)c1
InChIInChI=1S/C16H15N3O3S/c17-23(21,22)15-8-4-7-14(10-15)19-16(9-13(11-20)18-19)12-5-2-1-3-6-12/h1-10,20H,11H2,(H2,17,21,22)
InChIKeyQYFQLUSDWRLUEL-UHFFFAOYSA-N
MW329.38 g/mol
LogP1.68
Rot. Bonds4

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

3-[3-(hydroxymethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide (PubChem CID 67662627) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is 3-[3-(hydroxymethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-[3-(hydroxymethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide
PubChem CID67662627
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name3-[3-(hydroxymethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-n2nc(CO)cc2-c2ccccc2)c1
InChIInChI=1S/C16H15N3O3S/c17-23(21,22)15-8-4-7-14(10-15)19-16(9-13(11-20)18-19)12-5-2-1-3-6-12/h1-10,20H,11H2,(H2,17,21,22)
InChIKeyQYFQLUSDWRLUEL-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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Related Compounds

4'-Hydroxycelecoxib
CID 9908776
2-Hydroxymethyl-4-[5-(4-methylsulfanyl-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-benzenesulfonamide
CID 9803459
2-Hydroxymethyl-4-(5-m-tolyl-3-trifluoromethyl-pyrazol-1-yl)-benzenesulfonamide
CID 9822883
4-(5-(4-chlorophenyl)-3-hydroxymethyl-1H-pyrazol-1-yl]benzenesulfonamide
CID 9947165
4-(3-Hydroxymethyl-5-phenyl-pyrazol-1-yl)-benzenesulfonamide
CID 10471772
4-[4-Chloro-5-(4-chloro-phenyl)-3-hydroxymethyl-pyrazol-1-yl]-benzenesulfonamide
CID 10644539
4-[5-(4-Bromophenyl)-3-(hydroxymethyl)pyrazol-1-yl]benzenesulfonamide
CID 22316829
2-Hydroxymethyl-4-(5-p-tolyl-3-trifluoromethyl-pyrazol-1-yl)-benzenesulfonamide
CID 44364629
4-(3-Hydroxymethyl-5-p-tolyl-pyrazol-1-yl)-benzenesulfonamide
CID 68819643
4-[3-(Hydroxymethyl)-5-pyridin-3-ylpyrazol-1-yl]benzenesulfonamide
CID 71578641
4-[5-(4-Cyanophenyl)-3-(hydroxymethyl)pyrazol-1-yl]benzenesulfonamide
CID 71578723
4-[3-(Hydroxymethyl)-5-(3-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide
CID 71578724

Frequently Asked Questions

What is the IUPAC name of 3-[3-(hydroxymethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 3-[3-(hydroxymethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide (CID 67662627) is 3-[3-(hydroxymethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 3-[3-(hydroxymethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 3-[3-(hydroxymethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1cccc(-n2nc(CO)cc2-c2ccccc2)c1.
What is the InChIKey of 3-[3-(hydroxymethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide?
The InChIKey is QYFQLUSDWRLUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c17-23(21,22)15-8-4-7-14(10-15)19-16(9-13(11-20)18-19)12-5-2-1-3-6-12/h1-10,20H,11H2,(H2,17,21,22).
What are the key properties of 3-[3-(hydroxymethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide?
3-[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 3-[3-(hydroxymethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 67662627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).