4-[(3S)-5-(3-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide

C21H19N3O3S — CID 71577323

IUPAC4-[(3S)-5-(3-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2N=C(c3cccc(O)c3)C[C@H]2c2ccccc2)cc1
InChIInChI=1S/C21H19N3O3S/c22-28(26,27)19-11-9-17(10-12-19)24-21(15-5-2-1-3-6-15)14-20(23-24)16-7-4-8-18(25)13-16/h1-13,21,25H,14H2,(H2,22,26,27)/t21-/m0/s1
InChIKeyWUQHZAXCSDSGKY-NRFANRHFSA-N
MW393.47 g/mol
LogP3.40
Rot. Bonds4

About 4-[(3S)-5-(3-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide

4-[(3S)-5-(3-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide (PubChem CID 71577323) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is 4-[(3S)-5-(3-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(3S)-5-(3-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide
PubChem CID71577323
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC Name4-[(3S)-5-(3-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2N=C(c3cccc(O)c3)C[C@H]2c2ccccc2)cc1
InChIInChI=1S/C21H19N3O3S/c22-28(26,27)19-11-9-17(10-12-19)24-21(15-5-2-1-3-6-15)14-20(23-24)16-7-4-8-18(25)13-16/h1-13,21,25H,14H2,(H2,22,26,27)/t21-/m0/s1
InChIKeyWUQHZAXCSDSGKY-NRFANRHFSA-N
XLogP3.40
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-5-(3-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The IUPAC name of 4-[(3S)-5-(3-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide (CID 71577323) is 4-[(3S)-5-(3-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[(3S)-5-(3-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[(3S)-5-(3-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(N2N=C(c3cccc(O)c3)C[C@H]2c2ccccc2)cc1.
What is the InChIKey of 4-[(3S)-5-(3-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The InChIKey is WUQHZAXCSDSGKY-NRFANRHFSA-N. The full InChI is InChI=1S/C21H19N3O3S/c22-28(26,27)19-11-9-17(10-12-19)24-21(15-5-2-1-3-6-15)14-20(23-24)16-7-4-8-18(25)13-16/h1-13,21,25H,14H2,(H2,22,26,27)/t21-/m0/s1.
What are the key properties of 4-[(3S)-5-(3-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
4-[(3S)-5-(3-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide has a molecular weight of 393.47 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-5-(3-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 71577323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).