3-(difluoromethyl)-2-(3-phenylphenyl)-N-pyrazol-1-ylbenzenesulfonamide

C22H17F2N3O2S — CID 67662203

IUPAC3-(difluoromethyl)-2-(3-phenylphenyl)-N-pyrazol-1-ylbenzenesulfonamide
SMILESO=S(=O)(Nn1cccn1)c1cccc(C(F)F)c1-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C22H17F2N3O2S/c23-22(24)19-11-5-12-20(30(28,29)26-27-14-6-13-25-27)21(19)18-10-4-9-17(15-18)16-7-2-1-3-8-16/h1-15,22,26H
InChIKeyNDFDGLYBCYQUEV-UHFFFAOYSA-N
MW425.46 g/mol
LogP5.09
Rot. Bonds6

About 3-(difluoromethyl)-2-(3-phenylphenyl)-N-pyrazol-1-ylbenzenesulfonamide

3-(difluoromethyl)-2-(3-phenylphenyl)-N-pyrazol-1-ylbenzenesulfonamide (PubChem CID 67662203) has the molecular formula C22H17F2N3O2S and a molecular weight of 425.46 g/mol. Its IUPAC name is 3-(difluoromethyl)-2-(3-phenylphenyl)-N-pyrazol-1-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-(difluoromethyl)-2-(3-phenylphenyl)-N-pyrazol-1-ylbenzenesulfonamide
PubChem CID67662203
Molecular FormulaC22H17F2N3O2S
Molecular Weight425.46 g/mol
Exact Mass425.10
IUPAC Name3-(difluoromethyl)-2-(3-phenylphenyl)-N-pyrazol-1-ylbenzenesulfonamide
SMILESO=S(=O)(Nn1cccn1)c1cccc(C(F)F)c1-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C22H17F2N3O2S/c23-22(24)19-11-5-12-20(30(28,29)26-27-14-6-13-25-27)21(19)18-10-4-9-17(15-18)16-7-2-1-3-8-16/h1-15,22,26H
InChIKeyNDFDGLYBCYQUEV-UHFFFAOYSA-N
XLogP5.09
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.46
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-2-(3-phenylphenyl)-N-pyrazol-1-ylbenzenesulfonamide?
The IUPAC name of 3-(difluoromethyl)-2-(3-phenylphenyl)-N-pyrazol-1-ylbenzenesulfonamide (CID 67662203) is 3-(difluoromethyl)-2-(3-phenylphenyl)-N-pyrazol-1-ylbenzenesulfonamide.
What is the SMILES notation for 3-(difluoromethyl)-2-(3-phenylphenyl)-N-pyrazol-1-ylbenzenesulfonamide?
The canonical SMILES for 3-(difluoromethyl)-2-(3-phenylphenyl)-N-pyrazol-1-ylbenzenesulfonamide is O=S(=O)(Nn1cccn1)c1cccc(C(F)F)c1-c1cccc(-c2ccccc2)c1.
What is the InChIKey of 3-(difluoromethyl)-2-(3-phenylphenyl)-N-pyrazol-1-ylbenzenesulfonamide?
The InChIKey is NDFDGLYBCYQUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N3O2S/c23-22(24)19-11-5-12-20(30(28,29)26-27-14-6-13-25-27)21(19)18-10-4-9-17(15-18)16-7-2-1-3-8-16/h1-15,22,26H.
What are the key properties of 3-(difluoromethyl)-2-(3-phenylphenyl)-N-pyrazol-1-ylbenzenesulfonamide?
3-(difluoromethyl)-2-(3-phenylphenyl)-N-pyrazol-1-ylbenzenesulfonamide has a molecular weight of 425.46 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-2-(3-phenylphenyl)-N-pyrazol-1-ylbenzenesulfonamide is sourced from PubChem (CID 67662203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).