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

C21H17N3O3S — CID 177375300

IUPAC4-[5-(2-hydroxyphenyl)-3-phenylpyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2O)cc1
InChIInChI=1S/C21H17N3O3S/c22-28(26,27)17-12-10-16(11-13-17)24-20(18-8-4-5-9-21(18)25)14-19(23-24)15-6-2-1-3-7-15/h1-14,25H,(H2,22,26,27)
InChIKeyNYMUYQFFJVIVSX-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.56
Rot. Bonds4

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

4-[5-(2-hydroxyphenyl)-3-phenylpyrazol-1-yl]benzenesulfonamide (PubChem CID 177375300) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is 4-[5-(2-hydroxyphenyl)-3-phenylpyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(2-hydroxyphenyl)-3-phenylpyrazol-1-yl]benzenesulfonamide
PubChem CID177375300
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC Name4-[5-(2-hydroxyphenyl)-3-phenylpyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2O)cc1
InChIInChI=1S/C21H17N3O3S/c22-28(26,27)17-12-10-16(11-13-17)24-20(18-8-4-5-9-21(18)25)14-19(23-24)15-6-2-1-3-7-15/h1-14,25H,(H2,22,26,27)
InChIKeyNYMUYQFFJVIVSX-UHFFFAOYSA-N
XLogP3.56
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-hydroxyphenyl)-3-phenylpyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(2-hydroxyphenyl)-3-phenylpyrazol-1-yl]benzenesulfonamide (CID 177375300) is 4-[5-(2-hydroxyphenyl)-3-phenylpyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(2-hydroxyphenyl)-3-phenylpyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(2-hydroxyphenyl)-3-phenylpyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2O)cc1.
What is the InChIKey of 4-[5-(2-hydroxyphenyl)-3-phenylpyrazol-1-yl]benzenesulfonamide?
The InChIKey is NYMUYQFFJVIVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c22-28(26,27)17-12-10-16(11-13-17)24-20(18-8-4-5-9-21(18)25)14-19(23-24)15-6-2-1-3-7-15/h1-14,25H,(H2,22,26,27).
What are the key properties of 4-[5-(2-hydroxyphenyl)-3-phenylpyrazol-1-yl]benzenesulfonamide?
4-[5-(2-hydroxyphenyl)-3-phenylpyrazol-1-yl]benzenesulfonamide has a molecular weight of 391.45 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-hydroxyphenyl)-3-phenylpyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 177375300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).