2,4-difluoro-N-(4-phenyl-1H-pyrazol-5-yl)benzenesulfonamide

C15H11F2N3O2S — CID 25037539

IUPAC2,4-difluoro-N-(4-phenyl-1H-pyrazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1[nH]ncc1-c1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C15H11F2N3O2S/c16-11-6-7-14(13(17)8-11)23(21,22)20-15-12(9-18-19-15)10-4-2-1-3-5-10/h1-9H,(H2,18,19,20)
InChIKeyNRRZDTUFXNLFRL-UHFFFAOYSA-N
MW335.34 g/mol
LogP3.16
Rot. Bonds4

About 2,4-difluoro-N-(4-phenyl-1H-pyrazol-5-yl)benzenesulfonamide

2,4-difluoro-N-(4-phenyl-1H-pyrazol-5-yl)benzenesulfonamide (PubChem CID 25037539) has the molecular formula C15H11F2N3O2S and a molecular weight of 335.34 g/mol. Its IUPAC name is 2,4-difluoro-N-(4-phenyl-1H-pyrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-(4-phenyl-1H-pyrazol-5-yl)benzenesulfonamide
PubChem CID25037539
Molecular FormulaC15H11F2N3O2S
Molecular Weight335.34 g/mol
Exact Mass335.05
IUPAC Name2,4-difluoro-N-(4-phenyl-1H-pyrazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1[nH]ncc1-c1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C15H11F2N3O2S/c16-11-6-7-14(13(17)8-11)23(21,22)20-15-12(9-18-19-15)10-4-2-1-3-5-10/h1-9H,(H2,18,19,20)
InChIKeyNRRZDTUFXNLFRL-UHFFFAOYSA-N
XLogP3.16
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(4-phenyl-1H-pyrazol-5-yl)benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-(4-phenyl-1H-pyrazol-5-yl)benzenesulfonamide (CID 25037539) is 2,4-difluoro-N-(4-phenyl-1H-pyrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-(4-phenyl-1H-pyrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-(4-phenyl-1H-pyrazol-5-yl)benzenesulfonamide is O=S(=O)(Nc1[nH]ncc1-c1ccccc1)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-(4-phenyl-1H-pyrazol-5-yl)benzenesulfonamide?
The InChIKey is NRRZDTUFXNLFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O2S/c16-11-6-7-14(13(17)8-11)23(21,22)20-15-12(9-18-19-15)10-4-2-1-3-5-10/h1-9H,(H2,18,19,20).
What are the key properties of 2,4-difluoro-N-(4-phenyl-1H-pyrazol-5-yl)benzenesulfonamide?
2,4-difluoro-N-(4-phenyl-1H-pyrazol-5-yl)benzenesulfonamide has a molecular weight of 335.34 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-(4-phenyl-1H-pyrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 25037539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).