3-[4-(5-phenyl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide

C21H17N3O2S — CID 166490769

IUPAC3-[4-(5-phenyl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2ccc(-c3cn[nH]c3-c3ccccc3)cc2)c1
InChIInChI=1S/C21H17N3O2S/c22-27(25,26)19-8-4-7-18(13-19)15-9-11-16(12-10-15)20-14-23-24-21(20)17-5-2-1-3-6-17/h1-14H,(H,23,24)(H2,22,25,26)
InChIKeyJSWVYHFTVIMFIX-UHFFFAOYSA-N
MW375.45 g/mol
LogP4.06
Rot. Bonds4

About 3-[4-(5-phenyl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide

3-[4-(5-phenyl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide (PubChem CID 166490769) has the molecular formula C21H17N3O2S and a molecular weight of 375.45 g/mol. Its IUPAC name is 3-[4-(5-phenyl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[4-(5-phenyl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
PubChem CID166490769
Molecular FormulaC21H17N3O2S
Molecular Weight375.45 g/mol
Exact Mass375.10
IUPAC Name3-[4-(5-phenyl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2ccc(-c3cn[nH]c3-c3ccccc3)cc2)c1
InChIInChI=1S/C21H17N3O2S/c22-27(25,26)19-8-4-7-18(13-19)15-9-11-16(12-10-15)20-14-23-24-21(20)17-5-2-1-3-6-17/h1-14H,(H,23,24)(H2,22,25,26)
InChIKeyJSWVYHFTVIMFIX-UHFFFAOYSA-N
XLogP4.06
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-phenyl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide?
The IUPAC name of 3-[4-(5-phenyl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide (CID 166490769) is 3-[4-(5-phenyl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-[4-(5-phenyl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-[4-(5-phenyl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide is NS(=O)(=O)c1cccc(-c2ccc(-c3cn[nH]c3-c3ccccc3)cc2)c1.
What is the InChIKey of 3-[4-(5-phenyl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide?
The InChIKey is JSWVYHFTVIMFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2S/c22-27(25,26)19-8-4-7-18(13-19)15-9-11-16(12-10-15)20-14-23-24-21(20)17-5-2-1-3-6-17/h1-14H,(H,23,24)(H2,22,25,26).
What are the key properties of 3-[4-(5-phenyl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide?
3-[4-(5-phenyl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide has a molecular weight of 375.45 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-phenyl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 166490769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).