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

C22H19N3O3S — CID 71578811

IUPAC4-[3-(hydroxymethyl)-5-(4-phenylphenyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(CO)cc2-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C22H19N3O3S/c23-29(27,28)21-12-10-20(11-13-21)25-22(14-19(15-26)24-25)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-14,26H,15H2,(H2,23,27,28)
InChIKeyCGSMNSXGIIUVMP-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.35
Rot. Bonds5

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

4-[3-(hydroxymethyl)-5-(4-phenylphenyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 71578811) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is 4-[3-(hydroxymethyl)-5-(4-phenylphenyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(hydroxymethyl)-5-(4-phenylphenyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID71578811
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC Name4-[3-(hydroxymethyl)-5-(4-phenylphenyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(CO)cc2-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C22H19N3O3S/c23-29(27,28)21-12-10-20(11-13-21)25-22(14-19(15-26)24-25)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-14,26H,15H2,(H2,23,27,28)
InChIKeyCGSMNSXGIIUVMP-UHFFFAOYSA-N
XLogP3.35
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 9908776
CID 9908776
CID 9803459
CID 9803459
CID 9822883
CID 9822883
CID 9947165
CID 9947165
CID 10471772
CID 10471772
CID 10644539
CID 10644539
CID 10695000
CID 10695000
CID 22316829
CID 22316829
CID 44364629
CID 44364629
CID 67662627
CID 67662627
CID 68819643
CID 68819643
CID 136961753
CID 136961753

Frequently Asked Questions

What is the IUPAC name of 4-[3-(hydroxymethyl)-5-(4-phenylphenyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(hydroxymethyl)-5-(4-phenylphenyl)pyrazol-1-yl]benzenesulfonamide (CID 71578811) is 4-[3-(hydroxymethyl)-5-(4-phenylphenyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(hydroxymethyl)-5-(4-phenylphenyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(hydroxymethyl)-5-(4-phenylphenyl)pyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nc(CO)cc2-c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 4-[3-(hydroxymethyl)-5-(4-phenylphenyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is CGSMNSXGIIUVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c23-29(27,28)21-12-10-20(11-13-21)25-22(14-19(15-26)24-25)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-14,26H,15H2,(H2,23,27,28).
What are the key properties of 4-[3-(hydroxymethyl)-5-(4-phenylphenyl)pyrazol-1-yl]benzenesulfonamide?
4-[3-(hydroxymethyl)-5-(4-phenylphenyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 405.48 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(hydroxymethyl)-5-(4-phenylphenyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 71578811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).